organic compounds
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The title compound, C14H14BrNO5, has two chiral C atoms. The quaternary C atom in the oxolanone ring has an S configuration, while the adjacent tertiary C atom has an R configuration. The oxolanone ring adopts an envelope conformation, with the flap C atom lying 0.298 (3) Å from the mean plane of the remaining four atoms. In the crystal, molecules are connected into chains along [010] via weak C—HO hydrogen bonds.
organic compounds
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In the crystal structure of the title amino alcohol derivitive, C12H19NO2, molecules are linked by N—HO hydrogen bonds. The molecular structure exhibits an intramolecular O—HN hydrogen bond.
organic compounds
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The title compoud, C19H18BrNO5, was synthesized by an organocatalytic reaction. The aymmetric unit contains two independent molecules, in each of which the carbon between the two carbonyl groups adopts an R configuration, while the adjacent C atom has an S configuration. The dihedral angle between the two benzene rings is different in the two molecules [11.64 (3) and 58.96 (4)°].
organic compounds
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The asymmetric unit of the title compound, C27H20N2, contains two independent molecules, A and B. In both molecules, the N atom in the 1-position and the C atom in the 5-position are statistically disordered [as 0.571 (8):0.429 (8) in A and 0.736 (9):0.264 (9) in B]. The phenyl rings in the 1-, 2-, 4- and 5-positions in A are twisted from the central imidazole ring by 84.3 (2), 21.6 (2), 21.5 (2) and 75.7 (2)°, respectively. The corresponding dihedral angles in B are 85.5 (2), 3.8 (2), 2.4 (2) and 81.7 (2)°, respectively.
organic compounds
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The crystal structure of the title compound, C17H15BrO3, a chalcone derivative, exhibits two crystallographically independent molecules per asymmetric unit showing an E conformation about the ethylene double bond. In each molecule, the two phenyl rings are almost coplanar: the mean planes make dihedral angles of 9.3 (2) and 19.4 (2)°. In the crystal, molecules are linked through weak intermolecular C—HO hydrogen bonds.
metal-organic compounds
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In the title complex, [La(C7H4BrO3)Cl2(C12H8N2)]n, the LaIII ion is eight-coordinated by two carboxylate O atoms from two 5-bromosalicylate ligands, two N atoms from a chelating 1,10-phenanthroline ligand and four bridging Cl atoms in a distorted square-antiprismatic geometry. The LaIII ions are linked by bridging carboxylate groups and chloride anions into a chain along [100]. An intramolecular O—HO hydrogen bond is formed in the 5-bromosalicylate ligand. π–π interactions between the pyridine and benzene rings and between the benzene rings are observed [centroid–centroid distances = 3.794 (5) and 3.804 (4) Å].
organic compounds
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The complete molecule of the title compound, C6H12N2O5, is generated by a rotation about a twofold axis. The conformation along the bond sequence linking the two amino groups is trans-trans-(+)gauche-trans-trans. In the crystal, N—HO hydrogen bonds link the molecules into a three-dimensional supramolecular architecture.
organic compounds
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The title compound, C10H12N2O4, is a phenyl dicarbamate with crystallographically imposed inversion symmetry. The dihedral angle between the carbamoyloxy plane [i.e. the plane of the N—C(O)—O fragment; r.m.s. deviation = 0.002 (3) Å] and the plane of the aryl ring is 29.2 (1)°. In the crystal, two different centrosymmetric N—HO hydrogen-bond interactions are observed; these are described as R22(8) and R24(8) in graph-set notation. The rings form an alternating sequence, linking the molecules into a sheet structure parallel to (011).
organic compounds
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The title compound, C17H17ClN2O3·0.5C6H12, was prepared by the condensation reaction of 4-methoxy-3-(propanamido)benzoic acid with 4-chloroaniline. The Cl atom, the propionyl CH3 group and the cyclohexyl CH2 group are disordered over two sets of sites of equal occupancy in both molecules. The cyclohexane solvent molecule is disordered over two orientations which were modelled with relative occupancies of 0.484 (4) and 0.516 (4). In the crystal, there are a number of N—HO hydrogen bonds, forming layers perpendicular to (001).
organic compounds
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In the title compound, C14H17NO, the piperidinone and piperidine rings both adopt a chair conformation. The chiral crystals were obtained from a racemic reaction product via spontaneous resolution.