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The structure of the title hydrated molecular salt, C14H23N2O4+·C2H3O2−·H2O, was determined as part of a wider study on the use of the molecule as a polydentate ligand in the synthesis of MnIII clusters with magnetic properties. The cation features intramolecular O—H...N and N—H...O hydrogen-bond interactions. The crystal structure features a range of intermolecular hydrogen-bonding interactions, principally O—H...O interactions between all three species in the asymmetric unit. An R24(8) graph-set hydrogen-bonding motif between the anion and water molecules serves as a unit which links to the cation via the diethanolamine group. Each O atom of the acetate anion accepts two hydrogen bonds.

In the title compound, [IrCl(C8H12)(C17H25N3)], the IrI ion has a distorted square-planar coordination geometry. The N-heterocyclic carbene ligand has an extended S-shaped conformation. The butyl group was refined using a two-part 1:1 disorder model. In the crystal, three unique weak C—H...Cl contacts are present. Two of these form a motif described as R21(6) in graph-set notation, while a third forms an R22(8) motif about a crystallographic inversion center. The result is a chain structure which extends parallel to the crystallographic a axis.

In the title compound, C22H24N4O, the aromatic moiety is essentially planar (r.m.s. deviation of a least-squares plane fitted through all non-H atoms = 0.0386 Å) and is rotated by 89.98 (4)° from the piperazine ring, which adopts the expected chair conformation. The propanol chain is not fully extended away from the piperazine ring. In the crystal, there are two unique hydrogen-bonding interactions. One is an O—H...N interaction which, together with an inversion-related symmetry equivalent, forms a ring motif. The second is an N—H...N interaction which links adjacent molecules by means of a chain motif which propagates in the c-axis direction. Overall, a two-dimensional hydrogen-bonded structure is formed.

In the title compound, [Rh(C8H12)(C7H12N2)2]BF4, the square-planar Rh complex cation and the BF4− anion are both bisected by a crystallographic twofold rotation axis. The Rh and B atoms lie on this axis and all others are in general positions. In the crystal, two unique C—H...F hydrogen-bonding interactions are present, which involve both imidazolin-2-ylidene H atoms. They form two separate C(5) motifs, the combination of which is a rippled hydrogen-bonded sheet structure in the ab plane.

The structure of the organic cation in the title compound, C15H16N3+·ClO4−, contains two essentially planar rings. Mean planes fitted through all non-H atoms of each ring system have an r.m.s. deviation of 0.019 Å for the imidazole-based ring and 0.016 Å for the 2,6-dimethylphenyl ring. The angle between the two planes is 86.76 (2)°. In the crystal structure, N—H...O interactions form a one-dimensional chain, which propagates in the b-axis direction. C—H...O interactions are also found in the crystal packing.

The V-shaped title compound, C11H10Br2N4, lies on a crystallographic twofold rotation axis which passes through the central C atom. In the crystal, an infinite tape motif, which propagates in the a-axis direction, is formed by inversion-related N—H...N hydrogen-bonding interactions. The structure confirmed the identity of the compound as a reaction side product.

There are two crystallographically unique molecules present in the asymmetric unit of the title compound, C14H16N6O; in both molecules, the seven-membered diazepinone ring adopts a boat-like conformation and the chair conformation piperidine ring is an axial substituent on the diazepinone ring. In the crystal, each molecule forms hydrogen bonds with its respective symmetry equivalents. Hydrogen bonding between molecule A and symmetry equivalents forms two ring motifs, the first formed by inversion-related N—H...O interactions and the second formed by C—H...O and C—H...N interactions. The combination of both ring motifs results in the formation of an infinite double tape, which propagates in the a-axis direction. Hydrogen bonding between molecule B and symmetry equivalents forms one ring motif by inversion-related N—H...O interactions and a second ring motif by C—H...O interactions, which propagate as a single tape parallel with the c axis.

The title compound, C24H30N2O6, a Schiff base, adopts an extended conformation in which the methoxy groups are essentially coplanar with the aromatic ring to which they are bonded (mean planes fitted through the non-H atoms of each methoxyphenyl group have r.m.s. deviations of 0.078 and 0.044 Å) and the angle between mean planes fitted through the aromatic rings is 87.57 (10)°. An intramolecular N—H...N hydrogen bond keeps the imine and amide groups essentially coplanar. A mean plane fitted through these groups has an r.m.s. deviation of 0.0545 Å. Additional O—H...O hydrogen bonding parallel with the a axis links the molecules into a hydrogen-bonded chain in the crystal. C—H...O and C—H...π interactions are found within the crystal packing. The compound has been assigned the S,S configuration on the basis of the chemical synthesis, which used pure homotopic l-amino acids, and we have no reason to believe that the compound has epimerized.

In the title compound, [Ir(C8H12)(C7H12N2)(C18H15P)]BF4·CH2Cl2, the Ir(I) atom has a square-planar conformation with normal bond lengths. One of the phenyl rings, and the solvent dichloromethane molecule, were refined using separate two part disorder models, each in an approximately 1:1 ratio.

The title compound, C8H13Br2NO3, crystallizes as a non-merohedral twin with twin law −0.6 0 0.4/0 − 1 0 /1.6 0 0.6, and the structure has a refined twin domain ratio of 0.546 (5). The structure shows a compact conformation, with the ester unit roughly coplanar with a mean plane fitted through the non-H atoms of the pyrrolidine ring [dihedral angle = 8.23 (9)°]. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generate an R22(12) motif.

The title compound, C21H21N3O2, was obtained following a five-step synthetic procedure yielding weakly diffracting rod and needle-shaped crystals which crystallized concomitantly. Structural analysis of a rod-shaped crystal showed that the central seven-membered heterocyclic ring adopts a conformation that is perhaps best described as a distorted boat, with the H-bearing (CH2 and NH) atoms lying well out of the least-squares mean plane fitted through the other five atoms in the ring (r.m.s. deviation 0.075 Å). In the crystal, the compound packs as a twisted chain, which propagates along the b axis by means of an R12(6) motif formed by one of the carbonyl O atoms acting as a bifurcated acceptor in an N—H...O and C—H...O interaction. No diffraction was observed from the needle-shaped crystals.

The title compound, C14H5F6NO3, was synthesized by condensation of tetrafluorophthalic anhydride and 2,4-difluoroaniline. It was then recrystallized from hexane to give a nonmerohedral twin with two crystallographically unique molecules in the asymmetric unit. The refined twin fraction is 0.460 (3). Torsional differences between the aryl rings and the central amide group account for the presence of two unique molecules. The compound packs as double tapes formed by O—H...O and N—H...O hydrogen-bonding interactions between each unique molecule and its symmetry equivalents.

The title compound, C28H34N2O8S2, was synthesized as part of a project to develop synthetic routes to analogues of sporidesmins, a class of secondary metabolite produced by the filamentous fungi Chaetomium and Pithomyces sp. The complete molecule is generated by crystallographic inversion symmetry: the methoxy group is essentially coplanar with the benzene ring to which it is bonded, a mean plane fitted through the non-H atoms of the aromatic ring and the methoxy group having an r.m.s. deviation of 0.0140 Å. Similarly, the ester group is also essentially planar (r.m.s. deviation of a plane fitted through all non-H atoms is 0.0101 Å). There is only one independent C—H...O interaction, which links together adjacent molecules into a two-dimensional sheet in the bc plane.

The synthesis of the title compound, C16H15N3O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 Å) methoxybenzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An intermolecular N—H...N hydrogen bond links symmetry-related molecules into a C(5) chain, which runs parallel to the b axis.