organic compounds
Open access
In the crystal structure of the title salt, C6H8N+·C7H5O3−, the anions and cations are linked by classical N—HO hydrogen bonds. The anions are connected by pairs of C—HO hydrogen bonds into inversion dimers and further linked by classical O—HO hydrogen bonds. Weak π–π interactions [centroid–centroid distances = 3.740 (3) and 3.855 (3) Å] also occur. The dihedral angle between the CO2− group and the benzene ring to which it is attached is 20.95 (8)°.
organic compounds
Open access
In the title molecule, C10H12O3, all non-H atoms lie in a common plane (r.m.s deviation = 0.010 Å). The molecular conformation is stabilized by an intramolecular O—HO hydrogen bond.
metal-organic compounds
Open access
The title compound, [Cu4Cl8(C6H14N4O2)4], contains four molecules in the asymmetric unit. In the molecular structure, each of the four Cu2+ ions binds to three Cl atoms, one N atom and one O atom, resulting in distorted square-pyramidal coordination environments. The molecular structure is stabilized by weak C—HO and N—HCl hydrogen bonds. The crystal structure exhibit weak intermolecular N—HO, C—HO and N—HCl interactions, generating a three-dimensional network.
metal-organic compounds
Open access
In the polymeric title compound, [Ba(NO3)2(C6H9N3O2)2]n, the BaII atom is located on a crystallographic twofold axis and is coordinated by ten O atoms. Six are derived from two zwitterionic L-histidine molecules that simultaneously chelate one BaII atom and bridge to another. The remaining four O atoms are derived from two chelating nitrates. The molecules assemble to form a chain along [010]. In the crystal, chains are linked via N—HO and N—HN hydrogen bonds, generating a three-dimensional network.
metal-organic compounds
Open access
In the title binuclear copper(II) complex, [Cu2(ClO4)2(OH)2(C10H8N2)2], the CuII ion is coordinated in the form of a Jahn–Teller distorted octahedron by two bipyridine N atoms, two perchlorate O atoms and two hydroxide O atoms, and displays a distorted octahedral geometry. The molecule belongs to the symmetry point group C2h. The CuII ion is located on a twofold rotation axis and the hydroxide and perchlorate ligands are located on a mirror plane. Within the dinuclear molecule, the CuCu separation is 2.8614 (7) Å. The crystal structure exhibits O—HO, C—HO and π–π [centroid–centroid distance = 3.5374 (13) Å] interactions.
organic compounds
Open access
In the cation of the title salt, C23H27N2O4+·C2HO4−·2H2O, both fused pyrrolidine rings exhibit twisted conformations, while the piperidine rings adopt screw-boat and boat conformations. In the crystal, the three components are linked via O—HO and N—HO interactions, forming a tape along the b axis. The tapes are further linked by weak C—HO hydrogen bonds. forming a three-dimensional network.
organic compounds
Open access
In the cation of the title compound, C14H13BrN+·C7H7O3S−, the dihedral angle between the benzene and pyridine rings is 8.34 (11)°. The Br atom is disordered over two positions with site occupancies of 0.74 (2) and 0.26 (2). The molecular structure is stabilized by a weak intramolecular C—HO interactions. The crystal structure exhibits weak C—HO and π–π [centroid–centroid distance = 3.7466 (17) Å] interactions, forming a three dimensional network.
organic compounds
Open access
In the title molecular salt, C18H22NO+·C7H7O3S−, the dihedral angle between the aromatic rings in the cation is 10.00 (9)°; its alkyl side chain adopts an extended conformation. In the crystal, weak C—HO and π–π [centroid–centroid distance = 3.7658 (17) Å] interactions link the components, generating a three-dimensional network.
organic compounds
Open access
The asymmetric unit of the title salt, C3H7N6+·C6H7O4−·C3H4O2·H2O, contains a 2,4,6-triamino-1,3,5-triazin-1-ium cation, a 3-(prop-2-enoyloxy)propanoate anion and acrylic acid and water solvent molecules in a 1:1:1:1 ratio and with each species in a general position. In the crystal, the components are linked into a supramolecular layer in the bc plane via a combination of O—HO, N—HN and N—HO hydrogen bonding. The crystal studied was a non-merohedral twin, the minor component contribution being approximately 26%.
organic compounds
Open access
In the title salt, C8H12N+·C7H5O3−, the cation is disordered over two orientations with site occupancies of 0.565 (7) and 0.435 (7). In the anion, the carboxylate group makes the dihedral angle of 4.19 (18)° with the benzene ring. In the crystal, the ions are connected by N—HO and O—HO hydrogen bonds, forming a three-dimensional network.
organic compounds
Open access
The asymmetric unit of the title compound, C3H6N6·2C6H5NO3, contains one melamine and two 3-nitrophenol molecules. The mean planes of the 3-nitrophenol molecules are almost orthogonal to the plane of melamine, making dihedral angles of 82.77 (4) and 88.36 (5)°. In the crystal, molecules are linked via O—HN, N—HN and N—HO hydrogen bonds, forming a three-dimensional network. The crystal also features weak C—Hπ and π–π interactions [centroid–centroid distance = 3.9823 (9) Å].
organic compounds
Open access
The molecular structure of the title compound, C16H16N2O2, is stabilized by intramolecular O—HN hydrogen bonds with S(6) graph-set motifs, so that the molecule is almost planar, with a C=N—N=C torsion angle of −179.7 (2)° and a dihedral angle of 1.82 (12)° between the aromatic rings. In the crystal, weak C—Hπ interactions lead to the formation of a three-dimensional network.
organic compounds
Open access
In the title compound, C22H16ClNO, the quinoline ring system makes dihedral angles of 56.30 (6) and 7.93 (6)°, respectively, with the adjacent phenyl and benzene rings. The dihedral angle between these phenyl and benzene rings is 56.97 (8)°. In the crystal, weak C—Hπ and π–π [centroid–centroid distances of 3.7699 (9) and 3.8390 (9) Å] interactions link the molecules into a layer parallel to the ab plane.
organic compounds
Open access
The asymmetric unit of the title compound, C6H5N3·C7H6O3, comprises independent benzotriazole and 4-hydroxybenzoic acid molecules. The dihedral angle between the benzene ring and the benzotriazole ring system is 15.18 (7)°. The mean plane of the carboxyl group is twisted at an angle of 18.55 (1)° with respect to the benzene ring. The crystal structure is stabilized by weak intermolecular N—HN, O—HN, O—HO and C—HO interactions, forming a three-dimensional network.
organic compounds
Open access
In the title hydrated salt, C6H7N2O2+·C7H5O6S−·H2O, the benzene ring of the cation makes a dihedral angle of 1.32 (19)° with the attached nitro group. In the anion, an intramolecular O—HO hydrogen bond with an S(6) ring motif is formed between the carboxyl and hydroxy groups; the dihedral angle between the carboxyl group and the benzene ring is 8.76 (8)°. The crystal structure exhibits intermolecular N—HO, O—HO, C—HO, and π–π [centroid–centroid distances = 3.6634 (9) and 3.7426 (9) Å] interactions to form a three-dimensional network.
organic compounds
Open access
In the title compound, CH5N2O+·C7H5O6S−, the dihedral angle between the benzene ring and the mean plane of the uronium cation is 76.02 (8)°. The carboxyl group in the anion is twisted by 1.47 (9)° from the benzene ring. In the crystal, the cation is linked to the anion by weak O—HO and N—HO hydrogen bonds and π–π interactions [centroid–centroid distance = 3.8859 (8) Å], forming a three-dimensional network.
organic compounds
Open access
In the title compound, C25H19FN2O5S, the substituted phenyl ring makes a dihedral angle of 12.26 (9)° with the indole ring system. The nitro group is twisted at an angle of 26.92 (8)° out of the plane of the ring to which it is attached. The molecular structure is stabilized by weak C—HO hydrogen bonds. In the crystal, weak C—HO, C—HF and π–π [centroid–centroid distance = 3.6645 (11) Å] interactions link the molecules, forming a three-dimensional network.
organic compounds
Open access
In the title compound, C18H16ClNO2S, the indole ring system forms a dihedral angle of 75.07 (8)° with the phenyl ring. The molecular structure is stabilized by a weak intramolecular C—HO hydrogen bond. In the crystal, molecules are linked by weak C—HO hydrogen bonds, forming a chain along [10-1]. C—Hπ interactions are also observed, leading to a three-dimensional network.
organic compounds
Open access
In the title compound, C25H19ClN2O5S, the phenyl ring forms dihedral angles of 79.62 (12) and 80.02 (13)° with the indole ring system and the benzene ring, respectively. The nitro group is twisted at an angle of 22.39 (11)° with respect to the attached benzene ring. In the crystal, molecules assemble into double layers in the ab plane via C—HO interactions.
organic compounds
Open access
In the title compound, C18H16BrNO3S, the dihedral angle between the phenyl ring and the indole ring system is 89.91 (11)°. The molecular structure features weak C—HO and C—HBr hydrogen bonds. In the crystal, molecules are linked by weak C—HO hydrogen bonds, forming chains along the a-axis direction. The chains are further linked by C—Hπ interactions, forming a layer parallel to the ab plane.