ABSTRACT: In the methanol solvate of the title 1:1 cocrystal, C(29)H(28)F(6)N(4)OS·C(5)H(9)NO(2)·CH(4)O, the l-proline mol-ecule exists as a zwitterion. In the crystal, the disubstituted thio-urea, l-proline and methanol mol-ecules are linked by N-H?O and N-H?N hydrogen bonds, forming a two-dimensional array in the ab plane.
Project description:In the title methanol solvate, C(20)H(24)N(2)O(2)·CH(4)O, an L-shaped conformation is found as the two substituents at the central hydr-oxy group are almost orthogonal to each other [the C-C-C angle at the central sp(3)-C atom is 110.12?(13)°]. The most notable feature of the crystal packing is the formation of supra-molecular chains along the b direction mediated by O-H?N hydrogen bonds occurring between the hydr-oxy and quinoline N atoms; the methanol mol-ecules are linked to these chains via O-H?N(amine) hydrogen bonds. C-H?O inter-actions also occur.
Project description:The carb-oxy-lic acid mol-ecule of the title compound, C(11)H(20)NO(5)P·0.25CH(2)Cl(2), exists as a zwitterion with the H atom of the phospho-nate group being transferred to the imine N atom. In the asymmetric unit, there are two crystallographically independent acid mol-ecules adopting the same absolute configuration and differing slightly in their geometrical parameters. In each mol-ecule, the imino and carboxyl groups are connected via an intra-molecular N-H?O hydrogen bond. Inter-molecular O-H?O and N-H?O hydrogen bonds induce the formation of layers parallel to the ab plane. The dichloro-methane solvent mol-ecule, with a site occupancy of 0.5, is located between the layers.
Project description:The title Schiff base, C(11)H(14)ClNO(4), originally refined as a neutral mol-ecule [Chumakov, Antosyak, Mazus, Tsapkov & Samus (2000), Crystallogr. Rep.45, 945-950], is inter-preted as a zwitterionic compound. There are two independent zwitterions in the asymmetric unit. Five of the six hydr-oxy groups of the -CH(2)OH fragments are disordered. In one zwitterion, two are disordered over three sites [0.53?(1):0.33?(1):0.14?(1) and 0.65?(1):0.18?(1):0.17?(1)] and the third over two sites [0.66?(1):0.34?(1)]. In the second zwitterion, two are disordered over two sites [0.84?(1):0.16?(1) and 0.83?(1):0.17?(1)] and the third hydr-oxy group is ordered.
Project description:The title compound, C(16)H(20)NO(4)P, crystallizes as a zwitterion. In the mol-ecule, the two aromatic rings form a dihedral angle of 55.2?(1)°. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into columns propagating in .
Project description:The title compound, C(13)H(20)NO(3)P, exists as a zwitterion: the phospho-nic acid group has transferred its H atom to the amino group. The piperidine ring adopts a chair conformation. Mol-ecules are linked via hydrogen bonding to form a linear chain.
Project description:The title compound, CH(5)N(2)O(3)P, exists as a zwitterion. The N atom of the imino group is protonated and the phospho-nic acid group is deprotonated. The mol-ecular geometry about the central C atom of this zwitterionic species was found to be strictly planar with the sum of the three angles about C being precisely 360°. In the crystal, the mol-ecules are inter-linked by O-H?O and N-H?O hydrogen-bonding inter-actions, forming a three-dimensional supra-molecular network structure.
Project description:In the title GaIII complex compound with pentetic acid, [Ga(C14H20N3O10)(H2O)]·3H2O, the GaIII centre is bound in a slightly distorted octa-hedral coordination sphere by two amine N atoms, three carboxyl-ate O atoms and one water O atom. The complex mol-ecule exists as a zwitterion. In the crystal, the complexes are linked to each other via O-H?O and C-H?O hydrogen bonds, forming layers parallel to (001). Three uncoordinating water mol-ecules link the complex layers via O-H?O, N-H?O and C-H?O hydrogen bonds, forming a three-dimensional network.
Project description:The title Schiff base compound, C(15)H(15)NO(2), crystallized as the iminium-phenolate zwitterion. The H atom is localized on the imine N atom, forming a strong intra-molecular hydrogen bond with the phenolate O atom, and giving rise to an S(6) ring motif. The mol-ecule has an E conformation about the C=N bond. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming chains propagating along . There are also C-H?O inter-actions present.
Project description:Sitafloxacin is a newly developed fluoro-quinolone anti-bacterial drug. The crystal studied, C(19)H(18)ClF(2)N(3)O(3)·CH(3)OH, consists of one mol-ecule of sitafloxacin and one methanol solvent mol-ecule. The mol-ecule of sitafloxacin is a zwitterion with a protonated primary amine group and a deprotonated carboxylate group. The cyclopropane ring and the CO(2) group make dihedral angles of 79.5?(3) and 35.4?(4)°, respectively, with the fused ring system. The supra-molecular structure is defined by N-H?O and O-H?O hydrogen bonds.
Project description:The title Schiff base compound, C(18)H(13)NO(2), is a zwitterion, with the naphthol hy-droxy group deprotonated and the imine N atom protonated. It adopts an E configuration about the central C=N double bond. The dihedral angle between the naphthyl ring system and the benzene ring is 1.73?(11)°. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, adjacent mol-ecules are connected by inter-molecular C-H?O hydrogen bonds, forming a supra-molecular ribbon along the b axis.