organic compounds
Open access
In title compound, C10H12O4, all of the non-H atoms lie approximately in a plane with the largest deviation being 0.061 (2) Å. An intramolecular O—HO hydrogen bond generates an S(6) ring motif. No classical intermolecular hydrogen bonding occurs, with only van der Waals forces stabilizing the crystal structure.
organic compounds
Open access
The title compound, C10H7ClN2, contains two approximately planar molecules, A and B (r.m.s. deviations = 0.039 and 0.064 Å, respectively) in the asymmetric unit. In the crystal, N—HN hydrogen bonds link the molecules into C(7) chains of alternating A and B molecules propagating along the a-axis direction. The crystal used for the data collection was found to be a racemic twin.
metal-organic compounds
Open access
In the mononuclear title compound, [Ni(C10H9N4O2S)2(C12H8N2)], the NiII atom has a distorted octahedral coordination geometry comprising four N atoms from two 4-amino-N-(pyrimidin-2-yl)benzenesulfonamidate ligands and two N atoms from a 1,10-phenanthroline ligand. In the crystal, molecules are connected into a three-dimensional supramolecular network via N—HO hydrogen bonds and weak C—HO and C—HN contacts.
metal-organic compounds
Open access
The hydrothermal reaction of Zn(CH3COO)2, NaOH and L-cysteic acid produced the title compound, [Na2Zn(C3H5NO5S)2]n. The ZnII cation is situated on an inversion centre and is in a distorted octahedral environment, being chelated by two deprotoned L-cysteic acid ligands through two amino N atoms and two carboxylic O atoms, with the two axial positions occupied by two carboxylic O atoms from two other L-cysteic acid ligands. Each L-cysteic acid ligand bridges five NaI ions via its sulfonate group and two ZnII ions via its carboxyl group, forming a three-dimensional framework. Weak N—HO hydrogen bonding is observed in the crystal structure.
metal-organic compounds
Open access
In the title complex, [Mn(C6H2N3O7)2(C30H26N4O)], the MnII atom is coordinated by the tridentate bis-benzimidazole ligand and two atoms of the picrate anions, in a distorted square-pyramidal geometry (τ = 0.038). One nitro O atom of one picrate ion is disordered over two sites with occupancies of 0.54 (5) and 0.46 (5).
metal-organic compounds
Open access
In the title compound, [Co(C13H10N4O8)(C5H5N)(H2O)]·C10H8N2, the asymmetric unit comprises half a CoII complex located on a mirror plane and half a cocrystallized molecule of 4,4′-bipyridine located on an inversion center. The CoII ion is six coordinate, with distorted octahedral geometry, ligated by two N atoms and two O atoms from a 2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylate) dianion, one N atom from a pyridine molecule and one coordinating water molecule. The Co—O bond lengths range from 2.076 (2) to 2.1441 (15) Å, while the Co—N bond lengths are 2.138 (3) and 2.1515 (17) Å. A two-dimensional network of N—HO and O—HN hydrogen bonds stabilizes the crystal packing. There are π–π interactions between the bipyridine and imidazole rings [centroid–centroid distance = 3.7694 (4) Å]. The propane-1,3-diyl group is disordered over two conformations, with refined occupancies of 0.755 (8) and 0.245 (8).
metal-organic compounds
Open access
In the title compound, [Ca(C13H10N4O8)(H2O)3]·4H2O, the CaII ion is hepta-coordinated by two N atoms and two O atoms from a tetradentate 1,3-bis-(1H-imidazole-4,5-dicarboxylate) propane dianion and three water O atoms, giving a distorted pentagonal–bipyramidal coordination environment. The Ca—O bond lengths are in the range 2.354 (3)–2.453 (2) Å, while the Ca—N bond lengths are in the range 2.523 (2)–2.548 (2) Å. An intramolecular O—HO hydrogen bond between the carboxy and carboxylate groups stabilizes the molecular configuration. A three-dimensional network of N—HO and O—HO hydrogen bonds help to stabilize the crystal packing.
metal-organic compounds
Open access
Trichlorido[4-methoxy-2,6-bis(2-pyrimidin-2-yl-κN)phenyl-κC1]platinum(IV) acetonitrile monosolvate
In the title complex, [Pt(C15H11N4O)Cl3]·CH3CN, the PtIV ion adopts a distorted octahedral coordination geometry defined by a tridentate cyclometalated NCN ligand and three Cl atoms. In the crystal, individual molecules are aggregated into a three-dimensional network by C—HCl hydrogen-bonding interactions and π–π stacking interactions between the tridentate ligands, the shortest ring centroid–centroid distance being 3.613 Å.
organic compounds
Open access
In the title compound (systematic name: 1,3-diiodo-4-methoxy-2-nitrobenzene), C7H5I2NO3, the dihedral angle between the benzene ring and the nitro group is 88.0 (3)°, and the methyl group lies almost in the same plane as the ring [deviation = 0.034 (6) Å]. In the crystal, aromatic π–π stacking occurs between inversion-related rings [centroid–centroid separation = 3.865 (3) Å and slippage = 0.642 Å]. A possible weak C—Iπ interaction occurs [Iπ = 3.701 (2) Å and C—Iπ = 130.18 (13)°], but there are no significant intermolecular II contacts.
organic compounds
Open access
In the title compound, C14H10BrN5S, the dihedral angle between the triazole ring and the pyridine and bromobenzene rings are 26.42 (13) and 6.28 (13)°, respectively. The molecule exists as a thione in the solid state. In the crystal, molecules are linked by N—HN hydrogen bonds, generating [010] C(8) chains.
organic compounds
Open access
In the title molecule, C13H15N3O9, the nitro groups are tilted with respect to the benzene mean plane by 22.8 (3) and 31.6 (3)°. The methoxy groups are in a cis orientation relative to the ring. In the crystal, molecules are linked by strong N—HO hydrogen bonds into C(3) chains along [100].
organic compounds
Open access
In the title compound, C29H30N2, the dihedral angle between the mean planes of the carbazole and the quinoline systems is 52.41 (6)°. Molecules are linked into dimers by pairs of intermolecular C—HN hydrogen bonds and into a three-dimensional network by C—Hπ interactions.
organic compounds
Open access
In the title compound, C13H15N3O7, the dihedral angle between the amide plane (r.m.s. deviation = 0.008 Å) and the benzene ring is 33.2 (2)°. In the crystal, molecules are connected by N–HO=C hydrogen bonds, forming a chain along the b-axis direction.