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The organic component of the title compound, C22H20N2O5·2H2O, exhibits approximate but noncrystallographic mirror symmetry. The molecules of the organic component are linked by a combination of one O-H...O hydrogen bond and two N-H...O hydrogen bonds to form sheets containing R22(8), R22(16) and R66(40) rings. These sheets are linked into a continuous three-dimensional framework structure by cyclic centrosymmetric R42(8) water tetramers. Comparisons are made with some simpler analogues. [ABSTRACT FROM AUTHOR]

The non-H atoms in the organic component of the title compound, C8H7N3OS2·H2O, are almost coplanar, as the dihedral angle between the two ring planes is only 1.8 (2)°; there is a wide C-C-C angle of 127.8 (3)° at the methine C atom linking the two rings. The molecular components are linked into a three-dimensional framework structure by two-centre hydrogen bonds of N-H...O and O-H...N types, together with a three-centre O-H...(N,S) system. Comparisons are made with some ( Z)-5-arylmethylidene-2-sulfanylidene-1,3-thiazolidin-4-ones. [ABSTRACT FROM AUTHOR]

The article reports on the structure of the hydroxybenzazepine compound and compares it with its close analogues. A chair-type conformation is adopted by the seven-membered ring, with the hydroxy and pyridyl substituents in equatorial sites. A three-dimensional framework structure links the molecules of the compound. It compares the molecular aggregation in the hydroxybenzazepine compound with that in 2-vinyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol, and 2-phenyl-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine.

The article presents a research study on organic compound, 2-{[(Dodecylsulfanyl)carbonothioyl]-sulfanyl}-2-methylpropanoic acid. It cites that the strong affinity for gold for sulfur enables sulfur derivatives to be used as reagents for the production of gold nanoparticles. It discusses details of an experiment that discovers the molecular structure and hydrogen bonds of the organic compound.

The article discusses the hydrogen-bonding patterns in the organic compound, 3-alkyl-3-hydroxyindolin-2-ones. In the study, the compounds, as well as the analogues were prepared by reacting isatin with methyl ketones through the use of basic catalysis. Results showed that the compounds showed several distinct patterns created through the conventional solid hydrogen bonds of nitrogen-hydrogen-oxygen (N-H-O) and oxygen-hydrogen-oxygen (O-H-O) types.

The article discusses a study on the crystal structures of the organic compounds 6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3H)-one monohydrate and 6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3H)-one monohydrate. Polarization of the electronic structures of the pyrimidinone molecules is said to be demonstrated by the interatomic distances. The hydrogen bonds that join the molecular components in the compounds are cited. Also noted is the suspension method used in the first compound.

The article presents a structural analysis of the compound C20H23N3O6 that was conducted by researchers from the Universidad de Valle, Colombia, and the University of St. Andrews, Fife, Scotland. The study describes the structure of the compound as almost planar and consisting of a combination of five hydrogen bonds. Also discussed in this report is the development of a process for isolating the compound through reaction between 2-(2-amino-4-nitroanilino)ethanol and 3-dimethylamino-4-methoxypropiophenone.

The article presents a scientific report on the structures of compounds containing the dioxolotetrahydroquinolin-8-one unit and its comparison with a 6-(4-bromophenyl) analogue compound. It reveals that the compounds can be used as antimitotic and antitumor agents. The report mentions that the compounds were prepared through 6-endo intramolecular cyclization and identified for disorder over two enantiomeric configurations.

The article examines the crystal structure and supramolecular aggregation of the organic compound 3-{[4-amino-6-methoxy-2-(methylsulfanyl)pyrimidine-5-yl]amino}-1,2'-biindenylidene-1',3'-dione dimethyl sulfoxide solvate, linked into sheets of hydrogen-bonded chains of edge-fused rings by stacking π-interaction. It shows the arrangements of the solvent molecules linked to the biindenylidene component by a hydrogen bond. Also described is the position of the methyl atoms in the methoxy and methylsulfanyl substitutents in the pyrimidine ring.

The article discusses a study on hydrogen bonding of two or three frameworks introduced in tetrahydro, epoxy and benzazepines. The study concluded that 2SR,4RS compounds configured into R33(12)rings. However, 2SR,4R compounded into a three-dimensional structure with various hydrogen bonds such as C--H ...O and C--H.

The article discusses a study on the interactions between tetrahydro, epoxy and benzazepines. The study concluded that there are differences in the molecular arrangement and supramolecular accumulation of the compounds. Crystallization occurred in the space group P21 in Chloro-2-exo but happened in P212121 in Chloro-2-endo.

Studies the three-dimensional framework structure generated by two C—H∙∙∙O hydrogen bonds and one C—H∙∙∙&#x03CO(arene) hydrogen bond. Molecular strcuture of benzodiazepines; Atom-labelling scheme of hyrdrogen atoms; Crystal structure C—H∙∙∙O hydrogen bonds.

The article focuses on a study on the crystal structure of the organic compound C17H20N4O5 (I) containing two intramolecular N-H...O hydrogen bonds with amidic and nitro-group O atoms as acceptors. It describes some of the features of the compound's intramolecular dimensions which include molecular conformation and intramolecular distances and angles. Also stated is the variation in the resulting hydrogen-bonded structures in each of the crystal structures of compounds (I)-(IV).

The article discusses the crystal structures of the organic compound, N-(3-tert-Butyl-1-phenyl-1 H-pyrazol-5-yl)-N-(4-methoxybenzyl)acetamide (C23H27N3O2). It cites that the compound's molecules adopt a conformation with no internal symmetry, resulting in the compound's conformational chirality. It is mentioned that the compound is composed of a hydrogen-bonded chain of centrosymmetric rings.

The article describes the chains built by the aromatic stacking interaction of hydrogen bonded dimers on the crystal structure of the organic compound 3-[(E)-(3-tert-Butyl-1-phenyl-1H-pyrazol-5-yl)imminomethyl]quinolin-2(1H)-one. It examines the orientation of the tert-butyl substituent relative to the pyrazole ring and formation of dihedral angle by the phenyl group. Also observed are the inverted connection of molecules via hydrogen bonding linked by nitrogen, hydrogen and oxygen and the presence of parallel phenyl rings with interplanar spacing.

The article presents a structural analysis of the compound C12H13N5O3 that was conducted by researchers from the Universidad de Jaén, Spain, and the University of St. Andrews, Fife, Scotland. The compound was prepared by methylation and is characterized by the planar orientation of its pyrimidinone ring. The compound and its precursor 2-amino-6-[methyl(phenyl)amino]-5-nitropyrimidin-4(3H)-one have been used for anti-anxiety or anti-depressive agents.

The article focuses on the crystal structure of the organic compound 6-amino-5-formyl-3-methylpyrimidine-2,4(1H,3H)-dione. It cites that a dipolar carbonyl-carbonyl interaction linked the hydrogen-bonded ribbons into sheets. Also noted is that the molecular components of the monohydrate of the 1,3-dimethyl analogue into two connected and interwoven three-dimensional frameworks have been linked by a combination of three nitrogen (N)—hydrogen (H)...oxygen (O) hydrogen bonds and two O—H...O hydrogen bonds.

The article discusses a study on the hexamethylenediammonium salts. The study showed that there are only two dimensional hydrogen-bonded structure in C6H18N22+. The probe also stated that only carboxylate oxygen (O) atoms are present in the hydrogen bonding with the supramolecular interactions appearing to be varied. Structural forecasts for crystallization may then have restricted achievement.

The article discusses a study on the molecular and supramolecular framework of C14H19N3. The research concluded that fractional delocalization happens as indicated by the behavior of the compound in the heterocyclic molecular framework. The experimentation also identified the contrast in molecular configuration and supramolecular accumulation between pyrimidines.

Describes the hydrogen-bonded chains in 3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)-propenone and 3-(5-chloro-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(3,4,5-trimethoxyphenyl)propenone. Molecular structure of 3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)-propenone and C20H17CIN2O2; Crystal structure of two novel chalcones; Condensation reactions between 5-chloro-4-formyl-3-methyl-1-phenylpyrazole and methoxy-substituted acetophenones.

Molecules of the title compound, C16H12BrNO3, exhibit a polarized molecular-electronic structure. A combination of one N-H…O hydrogen bond and one C-H…O hydrogen bond links the molecules into sheets, and pairs of sheets are linked into bilayers by a single C-H…π(arene) hydrogen bond. [ABSTRACT FROM AUTHOR]

The title compound, C19H18N4OS, crystallizes in space group P&1macr; with Z' = 2. The two molecules in the selected asymmetric unit are nearly enantiomorphous. The molecules are linked by two N-H···N hydrogen bonds [H···N both 2.20 Å, N···N = 3.064 (3) and 3.077 (3) Å, and N-H···N = 165 and 172°] into C2²(10) chains, and these chains are linked into sheets by two independent C-H···π(arene) hydrogen bonds. [ABSTRACT FROM AUTHOR]

Examines 2-Aminobenzimidazolium O-ethyl malonate: eight independent N--H...O hydrogen bonds generate sheets. Crystallization of the compound; Molecular structure; Chemical composition.

Examines 2,2'-Methylenebis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one). Crystallization of the compound; Molecular composition and structure; Compound preparation.

The molecules in the title compound, C8H11CIN4S, are linked in pairs by a π-π stacking interaction. There are, however, no other direction-specific interactions. [ABSTRACT FROM AUTHOR]

Describes the crystal structure of an organic compound used as an intermediate in the synthesis of fused pyrazole[3,4-b]pyridine. Nitrogen-hydrogen bond; Hydrogen bond; Displacement ellipsoids; Heterocyclic rings; Linkage of amine group to carbon atoms.

In the title compound, C8H12N+·C4H3O4−, there is a short and almost linear but asymmetric O—H...O hydrogen bond in the anion. The ions are linked into C22(6) chains by two short and nearly linear N—H...O hydrogen bonds and the chains are further weakly linked into sheets by a single C—H...O hydrogen bond. [ABSTRACT FROM AUTHOR]

The title compound, C30H26ClN3, crystallizes with Z′ = 3 in the P space group. The three independent molecules have very similar, although not identical, conformations, with almost perfect screw-boat forms adopted by the non-aromatic carbocyclic rings. Four independent C—H...π(arene) hydrogen bonds link the molecules into centrosymmetric six-component aggregates. [ABSTRACT FROM AUTHOR]

Both 6-(1 H-indol-3-yl)-3-methyl-4-(4-methyl­phen­yl)-1-phen­yl-1 H-pyrazolo[3,4- b]pyridine-5-carbonitrile and 6-(1 H-indol-3-yl)-3-methyl-4-(4-methoxy­phen­yl)-1-phenyl-1 H-pyrazolo[3,4- b]pyridine-5-carbonitrile crystallize from dimethyl­formamide solutions as stoichiometric 1:1 solvates, viz. C29H21N5·C3H7NO, (I), and C29H21N5O·C3H7NO, (II), respectively; however, 6-(1 H-indol-3-yl)-3-methyl-1-phenyl-4-(3,4,5-trimethoxy­phen­yl)-1 H-pyrazolo[3,4- b]pyridine-5-carbonitrile, C31H25N5O3, (III), crystallizes in the unsolvated form. The heterocyclic components of (I) are linked by C—H⋯π(arene) hydrogen bonds to form cyclic centrosymmetric dimers, from which the solvent mol­ecules are pendent, linked by N—H⋯O hydrogen bonds. In (II), the heterocyclic components are linked by a combination of C—H⋯N and C—H⋯π(arene) hydrogen bonds into chains containing two types of centrosymmetric ring, and the pendent solvent mol­ecules are linked to these chains by N—H⋯O hydrogen bonds. Mol­ecules of (III) are linked into simple C(12) chains by an N—H⋯O hydrogen bond, and these chains are weakly linked into pairs by an aromatic π–π stacking inter­action. [ABSTRACT FROM AUTHOR]

The bond distances in the title compound, C11H16N4, provide evidence for peripheral delocalization of π electrons. The mol­ecules are linked by two independent N—H⋯N hydrogen bonds into a three-dimensional framework structure. [ABSTRACT FROM AUTHOR]

The title compound, 2C17H18BrN3O·C9H5BrClN, was crystallized from the reaction between 5,5-dimethylcyclohexane-1,3-dione, triethyl orthoformate and 5-amino-3-(4-bromophenyl)pyrazole, which had itself been prepared from the reaction between (Z)-3-(4-bromophenyl)-3-chloroacrylonitrile and hydrazine. The compound is a stoichiometric 2:1 cocrystal of the reaction product 3-[5-(4-bromophenyl)-1H- pyrazol-3-ylamino]-5,5-dimethylcyclohex-2-en-1-one and the early reactant (Z)-3-(4-bromophenyl)-3-chloroacrylonitrile. The two independent molecules of cyclohex-2-en-1-one are linked by N—H…N and N—H…O hydrogen bonds into complex bilayers and the molecules of acrylonitrile are trapped within large cavities in the substructure formed by the cyclohex-2-en-1-one molecules. [ABSTRACT FROM AUTHOR]

Mol­ecules of the title compound, C27H23ClN2O2, are linked into sheets of alternating large and small rings by a combination of C—H⋯O and C—H⋯π(arene) hydrogen bonds. [ABSTRACT FROM AUTHOR]

In each of the isomeric compounds ( Z)-5-(2-fluoro­benzyl­idene)-2-thioxothia­zolidin-4-one, C10H6FNOS2, (I), and ( Z)-5-(4-fluoro­benzyl­idene)-2-thioxothia­zolidin-4-one, C10H6FNOS2, (II), there is a very wide C—C—C angle ( ca 130°) at the methine C atom linking the two rings. In each isomer, paired N—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric R22(8) dimers; the hydrogen-bonded dimers are linked into chains by an aromatic π–π stacking inter­action in isomer (I) and by an anti­parallel dipolar carbonyl–carbonyl inter­action in isomer (II). ( Z)-5-(3,4,5-Trimethoxy­benzyl­idene)-2-thioxothia­zolidin-4-one, C13H13NO4S2, (III), which crystallizes with Z′ = 2 in the space group P , shows the same very wide angle at the bridging methine C atom; the two independent mol­ecules are linked into an isolated dimer having no crystallographic symmetry. [ABSTRACT FROM AUTHOR]

The title compound, C21H17N5, was prepared using a microwave-induced condensation reaction between 5-amino-3-methyl-1-phenylpyrazole and formaldehyde. The molecules lie across twofold rotation axes in space group C2/ c and are into chains by a π–π stacking inter­action. [ABSTRACT FROM AUTHOR]

Mol­ecules of the title compound, C6H7N3O3, are linked into sheets of centrosymmetric R22(8) and R64(28) rings by two nearly linear N—H⋯O hydrogen bonds [H⋯O = 1.91 and 1.98 Å, N⋯O = 2.786 (3) and 2.862 (3) Å, and N—H⋯O = 175 and 177°]. [ABSTRACT FROM AUTHOR]

Mol­ecules of 8-methyl-10-phenyl-6,10-dihydro-5 H-benzo[ h]pyrazolo[3,4- b]quinoline, C21H17N3, (I), are linked into cyclic centrosymmetric dimers by means of paired C—H⋯N hydrogen bonds. In each of 8-methyl-7,10-diphenyl-6,10-dihydro-5 H-benzo[ h]pyrazolo[3,4- b]quinoline, C27H21N3, (II), and 8-methyl-7-(4-methyl­phenyl)-10-phenyl-6,10-dihydro-5 H-benzo[ h]pyrazolo[3,4- b]quinoline, C28H23N3, (III), the mol­ecules are linked by C—H⋯π(arene) hydrogen bonds into sheets, although the detailed construction of the sheets is entirely different in (II) and (III). The mol­ecules of 7-(4-methoxy­phenyl)-8-methyl-10-phenyl-6,10-dihydro-5 H-benzo[ h]pyrazolo[3,4- b]quinoline, C28H23N3O, (IV), are linked into a complex three-dimensional framework structure by a combination of C—H⋯N, C—H⋯O and three independent C—H⋯π(arene) hydrogen bonds. [ABSTRACT FROM AUTHOR]

5-Meth­yl-2-(4-methyl­phen­yl)-7,8-dihydro-6 H-cyclo­penta­[ g]­pyra­zolo[1,5- a]pyrimidine, C17H17N3, 2-(4-chloro­phen­yl)-5-meth­yl-7,8-dihydro-6 H-cyclo­penta­[ g]pyrazolo[1,5- a]pyrimi­dine, C16H14ClN3, and 2-(4-bromo­phen­yl)-5-meth­yl-7,8-di­hy­dro-6 H-cyclo­penta­[ g]pyrazolo[1,5- a]pyrimidine, C16H14BrN3, are isostructural; in each compound, the mol­ecules are linked into chains by a single C—H⋯π(arene) hydrogen bond. Mol­ecules of 2-(4-methoxy­phen­yl)-5-meth­yl-7,8-di­hydro-6 H-cyclo­penta­[ g]pyrazolo[1,5- a]pyrimidine, C17H17N3O, are linked by a single C—H⋯N hydrogen bond into chains, which are themselves linked into sheets by a π–π stacking inter­action. [ABSTRACT FROM AUTHOR]

A second, monoclinic, polymorph of the title compound, C19H19N3O, is reported. In this polymorph, the mol­ecules are linked into chains by paired C—H⋯π hydrogen bonds and the chains are linked into sheets by π stacking inter­actions. [ABSTRACT FROM AUTHOR]

Abstract: The intramolecular cyclization of 2′-aminochalcones derived from 2- and 4-pyridinecarboxaldehydes was carried out in the presence of Amberlyst®-15/AcOH media. Unexpectedly, the reaction proceeded through a 5-exo process turning into an alternative approach for the synthesis of 2-(pyridinylmethylene)indolin-3-ones. [Copyright &y& Elsevier]

Abstract: New 6,8-dihydro-5H-benzo[f]pyrazolo[3,4-b]quinolines 6 have been obtained in a novel solvent-free three-component reaction involving β-tetralone along with 5-aminopyrazoles 1 and benzaldehydes 2. The isomeric 6,10-dihydro-5H-benzo[h]pyrazolo[3,4-b]quinolines 9 could not be prepared in a similar fashion directly from α-tetralone, but were obtained by the reaction of amines 1 with benzylidene-derivative 10 of α-tetralone in similar conditions. The yields of quinolines obtained via this novel protocol were good and the reaction times varied from few minutes to just few seconds. [Copyright &y& Elsevier]