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The article presents a paper about two modes of O-H...O hydrogen bonding used in dimorphs of racemic 6-O-acryloyl-2-O-benzoyl-myo-inositol 1,3,5-orthoformate. It mentions the key role of myo-Inositol 1,3,5-orthoester derivatives in the preparation of biologically relevant myo-inositol phosphates. The study found that orientational changes in a small functional group induce diverse hydrogen-bonding patterns in molecular associations.

The article presents a paper about tetrameric aggregate of 1,c-3-diphenyltetran-r-1-ol via an R44(8) homodromic ring. According to the authors, the title compound has two chiral centers namely C1 and C3. A view of the tetramer, showing the atom-labelling scheme is provided. One table shows that the four molecules in an asymmetric unit are linked by as many hydrogen bonds in order to constitute a tetramer.

The article presents a paper about gem-dimethylcyclopropanation of dibenzylideneacetone (dba) using triisopropyl sulfoxonium tetrafluoroborate. It mentions the interesting behaviour shown by the packing of the molecules within the crystal structure. A view of an asymmetric unit of compound (IV), showing the atom-numbering scheme is provided.

Examines the role of low-temperature structure determinations of 1,4-diethynyl and 1,3,5-triethynylbenzenes in showing the interaction between H atoms and the triple bonds of adjacent molecules. Assessment of systems containing aromatic nitro groups; Ascertion of the nature of interactions of the methoxy O atoms; Achievement of definitive locations of all H atoms in the x-ray sense.

The compounds catena-poly[ p-phenyl­enediammonium [[diiodo­lead(II)]-di-μ-iodo] dihydrate], {(C6H10N2)[PbI4]·2H2O} n, (I), and catena-poly[bis­(3,5-dimethyl­anilinium) [[diiodo­lead(II)]-di-μ-iodo]], {(C8H12N)2[PbI4]} n, (II), crystallize as organic–inorganic hybrids. As such, the structures consist of chains of [PbI2]− units extending along the c axis in (I) and along the b axis in (II). The asymmetric unit in (I) contains one Pb atom on a site of 2/ m symmetry, two I atoms and a water molecule on mirror planes, and a p-phenyl­enediammonium mol­ecule that sits around a site of 2/ m symmetry with the C and N atoms on a mirror plane. In (II), the Pb atom is on a twofold axis and the two I atoms are on general positions. Each Pb atom is octa­hedrally coordinated to six I atoms, arranged as chains of edge-sharing octa­hedra. Both compounds undergo hydrogen-bonding inter­actions between the ammonium groups and the I atoms. In addition, there are hydrogen bonds between the water mol­ecules and the ammonium groups and halides in (I), and between the ammonium groups and the ring systems in (II). [ABSTRACT FROM AUTHOR]

The mol­ecules of N, N′-bis­(2-pyridylmeth­yl)ferrocene-1,1′-diyl­dicarboxamide, [Fe(C12H11N2O)2], contain intra­molecular N—H⋯N hydrogen bonds and are linked into sheets by three independent C—H⋯O hydrogen bonds. The mol­ecules of the isomeric compound N, N′-bis­(3-pyridylmeth­yl)ferrocene-1,1′-diyldicarboxamide lie across inversion centres, and the mol­ecules are linked into sheets by a combination of N—H⋯N hydrogen bonds and π–π stacking inter­actions between pyridyl groups. [ABSTRACT FROM AUTHOR]

The title compounds, C10H12N4, (I), and C9H10N4, (II), have been synthesized and characterized both spectroscopically and structurally. The dihedral angles between the triazole and benzene ring planes are 26.59 (9) and 42.34 (2)°, respectively. In (I), mol­ecules are linked principally by N—H⋯N hydrogen bonds involving the amino NH2 group and a triazole N atom, forming R44(20) and R24(10) rings which link to give a three-dimensional network of mol­ecules. The hydrogen bonding is supported by two different C—H⋯π inter­actions from the tolyl ring to either a triazole ring or a tolyl ring in neighboring mol­ecules. In (II), inter­molecular hydrogen bonds and C—H⋯π inter­actions produce R34(15) and R44(21) rings. [ABSTRACT FROM AUTHOR]

In the title compound, C22H25N5OS·2H2O, the mol­ecules are stacked in columns running along the b axis. In this arrangemant, the mol­ecules are linked to each other by a combination of one two-centre N—H⋯O hydrogen bond and four two-centre O—H⋯O hydrogen bonds containing two types of ring motif, viz. R44(10) and R33(11). In the crystal structure, centrosymmetric π–π inter­actions between the triazole rings, with a distance of 3.691 (2) Å between the ring centroids, also affect the packing of the mol­ecules. [ABSTRACT FROM AUTHOR]

In 2-iodo- N-(2-nitro­phenyl)­benzamide, C13H9IN2O3, the mol­ecules are linked into a three-dimensional framework structure by a combination of a C—H⋯O hydrogen bond, and iodo–nitro, carbonyl–carbonyl and aromatic π–π stacking inter­actions. In the isomeric compound N-(2-iodo­phenyl)-2-nitro­benzamide, the framework structure is built from N—H⋯O, C—H⋯O and C—H⋯π(arene) hydrogen bonds and an iodo–nitro inter­action. [ABSTRACT FROM AUTHOR]

The structure of brucinium dihydrogen citrate trihydrate (systematic name: 2,3-dimeth­oxy-10-oxostrychnidinium dihydrogen citrate trihydrate), C23H27N2O4+·C6H7O7−·3H2O, has been determined at 130 K. The crystallographic asymmetric unit comprises two brucinium cations, two dihydrogen citrate anions and six water mol­ecules of solvation. The two citrate anions, which are conformationally dissimilar, associate through extensive hydrogen-bonding inter­actions with the common undulating brucinium cation layer substructures and the water mol­ecules, forming a three-dimensional framework polymer. [ABSTRACT FROM AUTHOR]

In each of the five title compounds, namely 5-benzylidene-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C13H12N2O3, (I), 5-(3-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,-3H,5H)-trione, C14H14N2O4, (II), 5-(4-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C14H14N2O4, (III), 5-[4-(dimethylamino)benzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C15H17N3O3, (IV), and 5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C21H28N2O4, (V), which crystallizes with Z′ = 2 in P1, there is a very wide C—C—C angle at the methine C atom linking the two rings, ranging from 137.1 (2)° in (I) to 139.14 (14)° in (III). There is evidence for intramolecular charge separation in (IV) and, to a lesser degree, in (III). The molecules of (I)–(III) are linked by pairs of C—H…O hydrogen bonds into chains of edge-fused rings, with alternating R2²(14) and R2²(16) rings in (I), alternating R2²(14) and R44(20) rings in (II), with two types of R2²(16) rings alternating in (III). The molecules in (IV) are linked by a single C—H…O hydrogen bond into simple C(8) chains, but there are no direction-specific intermolecular interactions in (V). [ABSTRACT FROM AUTHOR]

Among the title compounds, viz. the acids C10H8ClF2NO3, (I), and C11H11F2NO3, (II), and the amides C14H14F2N2O2, (III), and C14H13ClF2N2O2, (IV), the change of substituent from Cl in (I) to methyl in (II) has a dramatic effect upon the hydrogen bonding between the molecules, which occur in layers in both cases. In the structures of (III) and (IV), hydrogen bonds connect the molecules to form chains, but the introduction of a chloro substituent in (IV) has a profound effect on the orientation of the molecules within the chains and the packing of the chains in the structure as a whole. [ABSTRACT FROM AUTHOR]

In the structures of 5-(1-hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C8H10N2O4, (I), 1,3-dimethyl-5-[1-(propylamino)ethylidene]pyrimidine-2,4,6(1H,3H,5H)-trione, C11H17N3O3, (II), and 5-[1-(2,2-dimethoxyethylamino)ethylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C12H19N3O5, (III), there are no direction-specific intermolecular interactions. The molecules in 5-[1-(benzylamino)ethylidene]-l,3-dimethylpyrimidine-2,4,6(1H,3H,5H)trione, C15H17N3O3, (IV), are linked into chains of edge-fused rings by a combination of one C-H···O hydrogen bond and one C-H···π(arene) hydrogen bond, while the molecules in 5-(1-hydrazinoethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C8H12N4O3, (V), are linked into a continuous framework structure by three distinct N-H···O hydrogen bonds, each involving a different O-atom acceptor. Each of compounds (I)-(V) contains an intramolecular hydrogen bond, of the O-H···O type in (I) and of the N-H···O type in (II)-(V). [ABSTRACT FROM AUTHOR]

The title compound, 6-C-glucopyranosyl-7-O-methylapigenin dihydrate, C22H22O10·2H2O, is a natural C-glucosylflavone. The flavone skeleton is almost planar, the dihedral angle between the pyran moiety and the 4-hydroxyphenyl ring being 9.8 (3)°. The basal plane of the pyranosyl ring of the glucose moiety is almost perpendicular to the benzopyran ring system. The flavone skeletons are stacked along the a axis, forming layers parallel to (001). Between these hydrophobic layers, the glucose groups and water molecules of crystallization are connected via O-H…O hydrogen bonds, forming hydrophilic layers. [ABSTRACT FROM AUTHOR]

The crystal structures of the title compounds, (S)-1-carboxy-3-(methylsulfanyl)propanaminium chloride, C5H12NO2S+·Cl-, and (S)-1-carboxy-3-(methylselanyl)propanaminium chloride, C5H12NO2Se+·Cl-, are isomorphous. The protonated L-methionine and L-selenomethionine molecules have almost identical conformations and create very similar contacts with the Cl- anions in the crystal structures of both compounds. The amino acid cations and the Cl anions are linked via N—H…Cl- and O—H…Cl- hydrogen bonds. [ABSTRACT FROM AUTHOR]

Molecules of 3-nitrophthalimide, C8H4N2O4, are linked into sheets by a combination of one N—H…O hydrogen bond [H…O = 1.99 Å, N…O = 2.8043 (14) Å, and N—H…O = 176°] and two independent C—H…O hydrogen bonds [H…O = 2.36 and 2.56 Å, C…O = 3.1639(16) and 3.4386 (16) Å, and C—H…O = 142 and 153°], and these sheets are linked into pairs by a single π-π stacking interaction. Molecules of isomeric 4-nitrophthalimide are linked into sheets by a combination of one three-centre N-H…(O)2 hydrogen bond [H…O = 2.14 and 2.55 Å, N…O = 2.974 (3) and 3.231 (3) Å, N—H…O = 151 and 131°, and O…H…O = 76°] and two independent two-centre C-H…O hydrogen bonds [H…O = 2.38 and 2.54 Å, C…O = 3.257 (4) and 3.452 (4) Å, and C—H…O = 156 and 168°]. [ABSTRACT FROM AUTHOR]

The crystal structures of three solvates of zafirlukast [systematic name: cyclopentyl N-{1-methyl-3-[2-methyl-4-(o-tolylsul-fonylaminocarbonyl)benzyl]-1H-indol-5-yl}carbamate], viz. the monohydrate, C31H33N3O6S·H2O, (I), the methanol solvate, C31H33N3O6S·CH3OH, (II), and the ethanol solvate, C31H33N3O6S·C2H5OH, (III), have been determined by single-crystal X-ray diffraction analysis. All three compounds crystallize in the monoclinic crystal system. Zafirlukast adopts a similar Z-shaped conformation in all three solvates. The r methanol and ethanol solvates are isostructural. The packing of the zafirlukast molecules in all three crystal structures is similar and is expressed by hydrogen-bonded molecules that are related by translation, along (101) in (I) and along the b axis in (II) and (III). The methanol and ethanol solvent molecules are hydrogen bonded to two molecules of zafirlukast. The water molecule, on the other hand, acts as a connector via hydrogen bonds between three molecules of zafirlukast. The solvent molecules are not released at temperatures below the melting points of the solvates. [ABSTRACT FROM AUTHOR]

The structure of hydantoin (imidazolidine-2,4-dione), C3H4N2O2, has been determined from a twinned crystal. The two carbonyl bond lengths are nearly equal, even though one of them adjoins electron-donating NH groups to either side while the other is adjacent to only one. Ab initio molecular-orbital calculations yield more negative Löwdin charge on the former than the latter. Hydantoin molecules form two chains linked by N-H···O hydrogen bonds, from which inversion centres create a 'chain of rings'. Out of 50 hydantoin moieties in 49 independent molecules of hydantoin derivatives in the Cambridge Structural Database [Version 5.25; Allen (2002). Acta Cryst. B58, 380-388], five show this arrangement, six are a variant using the same O atom twice, five form a chain of edge-fused 12-membered hydrogen-bonded rings, and all but three of the remainder have one eight-membered ring and/or one chain connecting their hydantoin rings. [ABSTRACT FROM AUTHOR]

The title compounds, poly[bis(2,2'-bipyridine)bis(µ3-hydrogen phosphato)nitratodi-µ2-oxo-dicopper(II)vanadium dihydrate], [Cu2(VO2)(HPO4)2(NO3)(C10H8N2)2]·2H2O, (I), and poly[bis(2,2'-bipyridine)bis (µ3-hydrogen phosphato)nitratodi-µ2-oxo-dicopper(II)vanadium phosphoric acid solvate], [Cu2(VO2)(HPO4)2(NO3)(CloHsN2)2]·H3PO4, (II), were obtained by similar hydrothermal methods but under different crystallization conditions. The trinuclear entity which serves as the basic unit in both structures presents two independent CuII ions immersed in similar square-pyramidal N2O3 environments plus an octahedral VO6 core and is organized into a one-dimensional polymer, which is essentially identical in the two structures. The compounds are stabilized by different solvates, viz. two crystallization water molecules in (I) and a phosphoric acid molecule in (II), which provide the main structural differences through the diversity of interchain interactions in which they serve as bridges. [ABSTRACT FROM AUTHOR]

The first two crystal structures of enamines derived from 1-n-alkyl-3-methyl-5-pyrazolones, namely 1-(n-hexyl)-3-methyl-4-[1-(phenylamino)propylidene]-2-pyrazolin-5-one, C19H27N3O, (I), and N,N′-bis{1-[1-(n-hexyl)-3-methyl-5-oxo-2-pyrazolin-4-ylidene]ethyl}hexane-1,6-diamine, C30H52N6O2, (II), are reported. The molecule of (II) lies about an inversion centre. Both (I) and (II) are stabilized by intramolecular N—H…O hydrogen bonding. This confirms previous results based on spectroscopic evidence alone. [ABSTRACT FROM AUTHOR]

Molecules of 2-nitrobenzaldehyde hydrazone, C7H7N3O2, where Z′ = 2, are linked by two N—H…N hydrogen bonds into isolated dimers, whereas in the isomeric 3-nitrobenz- aldehyde hydrazone, where Z′ = 1, the molecules are linked by one N—H…O hydrogen bond and one N—H…N hydrogen bond into a three-dimensional framework structure. [ABSTRACT FROM AUTHOR]

The crystal structure determinations of picolinamidium squarate, C6H7N2O+·C4O4-, (I), and di-p-toluidinium squarate dihydrate, 2C7H10N+·C4O42-·2H2O, (II), are reported. While salt formation occurs by donation of one H atom from squaric acid to the picolinamide molecule in (I), in compound (II), each squaric acid molecule donates one H atom to the p-toluidine N atom of two trans p-toluidine molecules. In (I), the pyridine ring is coplanar with the squarate monoanion through imposed crystallographic mirror symmetry; in (II), the dihedral angle between the p-toluidine moiety and the squarate dianion is 70.71 (1)°. In (I), a three-dimensional structure is formed via van der Waals interactions between parallel planes of molecules, with hydrogen-bond interactions (N-H···O and O-H···O) acting within the planes; hydrogen bonds form a three-dimensional network in (II). [ABSTRACT FROM AUTHOR]

The crystal structures of quinolinium 3-carboxy-4-hydroxybenzenesulfonate trihydrate, C9H8N+·C7H5O6S-·3H2O, (I), 8-hydroxyquinolinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate, C9H8NO+·C7H5O6S-·H2O, (II), 8-aminoquinolinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate, C9H9N2+·C7H5O6S-·2H2c, (III), and 2-carboxyquinolinium 3-carboxy-4-hydroxybenzenesulfonate quinolinium-2-carboxylate, C10H8NO2+·C7H5O6S-·C10H7NO2, (IV), four protontransfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases, reveal in each the presence of variously hydrogen-bonded polymers. In only one of these compounds, viz. (II), is the protonated quinolinium group involved in a direct primary N+-H···O(sulfonate) hydrogenbonding interaction, while in the other hydrates, viz. (I) and (III), the water molecules participate in the primary intermediate interaction. The quinaldic acid (quinoline-2carboxylic acid) adduct, (IV), exhibits cation-cation and anion-adduct hydrogen bonding but no direct formal heteromolecular interaction other than a number of weak cationanion and cation-adduct π-π stacking associations. In all other compounds, secondary interactions give rise to network polymer structures. [ABSTRACT FROM AUTHOR]

The title compound, [AuBr(C6H11NS)]n, formed through an AuIII→AuI reduction process, presents a polymeric structure including Au chains with alternating Au-Au distances of 3.0898 (8) and 3.1181 (8) Å. The coordination geometry is best described on the basis of linear [AuBr(C6H11NS)] molecules, which are associated into a one-dimensional polymer via a common aurophilic interaction. [ABSTRACT FROM AUTHOR]

In exo-2-(3,5-dioxo-10-oxa-4-azatricyclo[ 5.2.1.02,6]dec-8-en-4-yl)phenyl acetate, C16H13NO5, the plane of the acetoxy group lies almost perpendicular to that of the phenyl ring [dihedral angle = 89.8 (1)°], in contrast with the smaller deviations found in the para isomer exo-4-(3,5-dioxo-lO-oxa-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl acetate, C16H13NO5, these being 63.6 (1) and 37.0 (1)° for the two crystallographically independent molecules. Irrespective of the position of the acetoxy group, both compounds pack through soft CH…X (X is O or phenyl) interactions, forming interlinked centrosymmetric tetramers in the bc plane. [ABSTRACT FROM AUTHOR]

In (2RS,4RS)-1-acetyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine, C23H21NOS, (I), and (2RS,4RS)-1-chloroacetyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine, C23H20C1NOS, (II), the seven-membered rings have boat conformations, whereas in (2RS,4RS)-1-benzoyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine, C28H23NOS, (III), this ring has a conformation intermediate between the boat and twist-boat forms. The molecules of (I) are linked into isolated R²2(16) dimers by two C-H…O hydrogen bonds [H…O = 2.41 and 2.47 å, C…O = 3.268 (3) and 3.336 (3) Å, and C-H…O = 150 and 152°]. In (II), the molecules are again linked by two C-H…O hydrogen bonds [H…O = 2.42 and 2.48 Å, C…O = 3.295 (3) and 3.364 (2)Å, and CH…O = 153 and 154°], forming chains of alternating R²2(18) and R²2(22) rings. Two C-H…O hydrogen bonds [H…O = 2.49 and 2.53 Å, C…O = 3.347 (2) and 3.295 (2) Å, and CH…O = 150 and 138°] link the molecules of (III) into sheets containing alternating R²2(22) and R46(30) rings. Re-examination of the published structure of (2RS,4RS)-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine shows that the molecules are linked by three C-H…π(Arlene) hydrogen bonds into a three-dimensional framework. [ABSTRACT FROM AUTHOR]

Molecules of (R)-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine, C12H17NS, are linked into spiral C(5) chains by a single N-H···S hydrogen bond, while molecules of rac5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine, C19H21NOS, are linked into zigzag chains by a CH···π(arene) hydrogen bond. . [ABSTRACT FROM AUTHOR]

Investigates a series of synthetic androstene derivatives. Configuration of crystals; Effects of the absence of anomalous scatters in the compound on the prevention of determining absolute configuration; Assignment of chiral centers in a precursor molecule.

Describes the supramolecular structure of N-(2-nitrophenylthio)phthalimide (I) and N-(3,5-dinitrophenyl)-phthalimide (II). Assessment of the molecules of hydrogen bonds; Analysis of framework formation in terms of simple one-dimensional substructures; Activity of the imide O atoms as hydrogen-bond acceptors.

Examines the crystal structures of four trifluoromethylnitrobenzene analogues. Comparison of conformations and packing arrangements; Mechanism of molecules to adopt a rod-like conformation; Identification of molecules that pack as monodirectional pairs.

Analyzes the spectral, thermal and structural characterization of a series of mixed-ligand complexes of saccharin with other co-ligands. Utilization of unsymmetrical diamine ligands; Observation of neutral molecules; Displacement of disordered zinc cation.

In the title coordination polymer, [Pb(C5H2N2O4)(H2O)] n, the PbII atom is seven-coordinated by one N atom and five O atoms from four individual imidazole-4,5-dicarboxyl­ate (HIDC2−) groups and one water mol­ecule. It is inter­esting to note that the HIDC2− group serves as a bridging ligand to link the PbII atoms into a three-dimensional microporous open-framework. [ABSTRACT FROM AUTHOR]

The two new title complexes, [Mn(C5H3N6)2(H2O)2] and [Zn(C5H3N6)2(H2O)2], are isomorphous. In both compounds, the metal atom is located on an inversion center and is coordinated by four N atoms from two 5-(pyrazin-2-yl)-1 H-tetra­zolate anions in the basal plane and by two O atoms of water ligands in the apical positions to form a distorted octa­hedral geometry. Inter­molecular hydrogen-bond inter­actions between the uncoordinated N atoms of the tetra­zolate anions and the H atoms of the water mol­ecules lead to the formation of a three-dimensional network. [ABSTRACT FROM AUTHOR]

In the 1:1 adduct formed betweenl-phenyl­alanine and 4-nitro­phenol [alternative IUPAC name: (2 S)-2-ammonio-3-phenyl­propanoate–4-nitro­phenol (1/1)], C9H11NO2·C6H5NO3, thel-phenyl­alanine mol­ecule is in the zwitterionic state. The overall structure is stabilized via strong hydrogen bonding between polar zones and van der Waals inter­actions between non-polar zones, which alternate with the polar zones. [ABSTRACT FROM AUTHOR]

The structure of the title compound, 2-CH3O-C5H3N–3-B(OH)2 or C6H8BNO3, comprises two crystallographically independent mol­ecules. The molecules are linked to each other by inter­molecular O—H⋯N and C—H⋯O bonds to produce an infinite chain, while a two-dimensional structure is formed as a result of π–π inter­actions of planar mol­ecules. [ABSTRACT FROM AUTHOR]

The CoII ion in the title complex {[Co(C5H2N2O4)(H2O)3]·1.72H2O} n, has a distorted octa­hedral coordination geometry comprised of three water ligands, one deprotonated pyrimidine N atom and an adjacent carboxyl­ate O atom of one orotate ligand. The sixth coordination site is occupied by an exocyclic O atom from a neighbouring orotate moiety, and through this inter­action a helicoidal chain is formed. The mol­ecules are linked by intra­molecular Owater—H⋯O and inter­molecular N—H⋯O and Owater—H⋯O hydrogen bonds, forming a three-dimensional network. [ABSTRACT FROM AUTHOR]

The title compound, C14H10Cl2, crystallizes as colourless prisms with two symmetry-independent mol­ecules in the unit cell. Numerous inter­molecular C—H⋯π inter­actions dominate in the crystal structure, where C—H⋯Cl and long Cl⋯Cl contacts are also observed. [ABSTRACT FROM AUTHOR]

The novel title compound, C25H31O6P, contains rigid fused rings which are shown to be similar to the precursor structures. Weak C—H⋯O inter­molecular inter­actions produce two-dimensional sheets composed of R44(28) rings. [ABSTRACT FROM AUTHOR]

The title complex, [Zn(C5H6O4)(H2O)] n, has a two-dimensional layer structure. The Zn atoms, in a geometry that is closer to trigonal bipyramidal than square pyramidal, are coordinated by two O atoms of a bidentate dimethyl­malonate ligand, two O atoms of monodentate dimethylmalonate ligands and one O atom from the aqua ligand. The crystal structure is characterized by the intra­layer motif of a hydrogen-bonded network. Neighboring layers are linked together to build up a three-dimensional network via van der Waals forces. [ABSTRACT FROM AUTHOR]

In the structure of the title compound, {[Rh2(C2H3O2)4(C7H18N2O)]·0.5C4H8O} n or {[Rh2(O2CMe)4(Hbdmap)]·0.5C4H8O} n, where Hbdmap is 1,3-bis­(dimethyl­amino)propan-2-ol, each Hbdmap ligand is coordinated to two [Rh2(O2CMe)4] units by two N atoms, resulting in a polymeric chain structure. The observed coordination mode of the Hbdmap mol­ecule is unprecedented. [ABSTRACT FROM AUTHOR]

In the title compound, C8H7NO4, the mol­ecules are linked into a three-dimensional framework structure by a combination of O—H⋯O, C—H⋯O(carbonyl) and C—H⋯O(nitro) hydrogen bonds. Comparisons are made between the supra­molecular structures of the three isomeric nitro­phenyl­acetic acids. [ABSTRACT FROM AUTHOR]

The complex mol­ecule in the title compound, [Re(C9H6NS)Cl2O(C18H15OP)]·C3H6O, has distorted octa­hedral geometry. The Re=O bond occupies the position trans to the triphenyl­phosphine oxide O atom. The Re—Cl bond trans to the thiol­ate S atom is longer than that trans to the quinoline N atom, implying a stronger trans influence of the S atom. Intra- and inter­molecular π–π inter­actions are also observed between the π rings in the complex. [ABSTRACT FROM AUTHOR]

The copper(II) centre in the mononuclear title complex, [Cu(C7H3NO4)(C14H12N2)]·3H2O, is surrounded by one bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and one tridentate pyridine-2,6-dicarboxylate ligand, and exhibits a distorted square-pyramidal geometry. The crystal packing involves both hydrogen-bonding and π–π inter­actions. The solvent water mol­ecules link monomers to one another through hydrogen-bonding inter­actions, forming ladder-like chains in the bc plane. Face-to-face and slipped π–π inter­actions also occur between dmphen rings of neighboring mol­ecules and are responsible for inter­chain packing. [ABSTRACT FROM AUTHOR]

The title compound, C14H22O, was studied at 110 K. The phenolic hydroxy group was found to be coplanar with the benzene ring and, due to steric hindrance from the tert-butyl groups, this hydroxy group does not form hydrogen bonds. The shortest inter­molecular O⋯O distance is 3.1008 (11) Å, with an O—H⋯O angle of 117.3 (16)°. There are no significant inter­molecular π–π stacking or C—H⋯π inter­actions. [ABSTRACT FROM AUTHOR]

The VV atom in the title complex, [V(C16H16N5S)O2], is five-coordinate in a highly distorted square-pyramidal geometry, with the pyridyl N, the azomethine N and the thiol­ate S atoms of the di-2-pyridyl ketone N4, N4-(butane-1,4-di­yl)­thio­semi­carbazone ligand and one oxo ligand occupying the basal coordination positions, while the second oxo ligand occupies the apical position. The mol­ecules are inter­connected by weak inter­molecular inter­actions, mainly of the C—H⋯O type, involving the oxo atoms. [ABSTRACT FROM AUTHOR]

The title compound, C14H9N5S, has been synthesized and characterized both spectroscopically and structurally. The triazolo–thia­diazole system, the pyridine ring and the phenyl ring are all planar. The plane of the triazolo–thia­diazole system forms dihedral angles of 1.53 (13) and 7.55 (12)° with the planes of the pyridine and phenyl rings, respectively. In the mol­ecule, there are two intra­molecular inter­actions of types C—H⋯N and C—H⋯S. Inter­molecular C—H⋯N inter­actions involving a phenyl CH group and a triazole N atom lead to the formation of a one-dimensional chain. In the crystal structure, two types of π–π inter­actions affect the packing of the mol­ecules. In addition, there are inter­molecular non-bonded S⋯N contacts of 2.870 (2) Å, which may cause steric hindrance. [ABSTRACT FROM AUTHOR]

The mol­ecular structures of the complexes imidazolium 6,6′-di- tert-butyl-4,4′-dimethyl-2,2′-thio­diphenyl phosphate, C3H5N2+·C22H28O4PS−, (I), and imidazolium 6,6′-di- tert-butyl-4,4′-dimethyl-2,2′-thio­diphenyl phosphate diisopropyl hydrazo­dicarboxyl­ate hemisolvate, C3H5N2+·C22H28O4PS−·0.5C8H16N2O4, (II), have been determined. While (I) forms the expected hydrogen-bonded chain utilizing the two imidazole N-bound H atoms, in (II), the substituted hydrazine solvent mol­ecule inserts itself between the chains. Compound (I) exhibits a strong N—H⋯O hydrogen bond, with an N⋯O distance of 2.603 (2) Å. The hydrazine solvent molecule in (II) lies about a twofold axis and the N-bound H atoms are involved in bifurcated hydrogen bonds with phosphate O atoms. A C-bound H atom of the imidazolium cation is involved in a C—H⋯O inter­action with a carbonyl O atom of the hydrazine solvent mol­ecule. [ABSTRACT FROM AUTHOR]

The two title complexes, [Zn2(C13H9Cl2N2O)2(C2H3O2)2], (I), and [Cu2(C13H9Cl2N2O)2(NCS)2], (II), are dinuclear Schiff base compounds. Both mol­ecules are located on crystallographic centres of inversion. In (I), the ZnII atom is five-coordinated in a trigonal–bipyramidal coordination, with one imine N atom of one Schiff base and two acetate O atoms defining the basal plane, and one O atom and one pyridine N atom of the Schiff base occupying the axial positions, while in (II), the CuII atom is five-coordinated in a square-pyramidal coordination, with one O and two N atoms of one Schiff base and one terminal N atom of a bridging thio­cyanate ligand defining the basal plane, and one terminal S atom of another bridging thio­cyanate ligand occupying the apical position. The different bridging ligands lead to the different coordinations of the complexes. [ABSTRACT FROM AUTHOR]

The title compound, C21H24N3O4P, is a self-complementary hydrogen-bond (HB) building unit, with (P=)O as the primary HB acceptor and N—H as the HB donor. Each of the four crystallographically distinct and nearly parallel mol­ecules of the unit cell has a net dipole moment along the P=O bond direction and all of the dipoles are directed in the same general crystallographic direction. Head-to-tail N—H⋯O=P double-HB strands stack adjacent mol­ecules into one-dimensional infinite polar columns. Each polar column is a 21 helix and all columns are essentially parallel, resulting in polar order throughout the entire crystal. [ABSTRACT FROM AUTHOR]

In the title compound, C6H4BrClN2O2, the Br and Cl substituents are disordered over two sites, and the intra-molecular dimensions provide evidence for charge polarization. The molecules are linked into C(8) chains by a single N—H…O hydrogen bond. [ABSTRACT FROM AUTHOR]