metal-organic compounds
Open access
In the title compound, [ZnCl2(C7H6N2S)2]·0.5CH3CH2OH, the ZnII atom is coordinated by two N atoms of two 2-aminobenzothiazole ligands and two Cl atoms within a distorted tetrahedral geometry. The dihedral angle between the N/Zn/N and Cl/Zn/Cl planes is 86.22 (7)°. The benzothiazole molecules are almost perpendicular to each other, forming a dihedral angle of 80.20 (8)°. The molecular structure is stabilized by intramolecular N—HCl hydrogen bonds. In the crystal, intermolecular N—HCl hydrogen bonds link the molecules into a three-dimensional network. The SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148–155] was used to model a disordered ethanol solvent molecule; the calculated unit-cell data allow for the presence of half of this molecule in the asymmetric unit.
organic compounds
Open access
In the title compound, C4H5N3OS2·2C2H6OS, the five-membered heterocyclic ring and the N—(C=O)—C plane of the acetamide group are essentially co-planar, with a dihedral angle of 1.25 (3)°. Intermolecular N—HO hydrogen bonds between the acetamide compound and the dimethyl sulfoxide molecules stabilize the crystal structure. The two dimethyl sulfoxide molecules are each disordered over two positions with occupancy ratios of 0.605 (2):0.395 (2) and 0.8629 (18):0.1371 (18).
organic compounds
Open access
In the title compound, C11H13NO3S, the dihedral angle between the benzyl and carbamate groups is 12.67 (10)°. The S atom and the carbonyl O atom are positioned anti to each other. In the crystal, pairs of N—HS hydrogen bonds link molecules into inversion dimers.
organic compounds
Open access
In the title compound [systematic name: N-(carbamoylcarbamothioyl)benzamide], C9H9N3O2S, the benzoyl and terminal urea fragments adopt cisoid and transoid conformations, respectively, with respect to the S atom. The benzoyl and thiobiuret groups are almost coplanar, making a dihedral angle of 8.48 (5)°. The molecular structure is stabilized by an intramolecular N—HO hydrogen bond. In the crystal, N—HO and N—HS hydrogen bonds link the molecules into a sheet parallel to the bc plane.
organic compounds
Open access
In the title compound, C4H6N2OS2, the dihedral angle between the five-membered heterocyclic ring and the plane of the ethoxy group is 4.9 (2)°. The 1,3,4-thiadiazole-2-thione unit is planar, with an r.m.s. deviation of 0.011 Å from the corresponding squares plane defined by the seven constituent atoms. In the crystal, pairs of N—HS hydrogen bonds link the molecules into inversion dimers.
metal-organic compounds
Open access
In the title compound, [Zn(C20H14NO)2]·2CH3OH, the ZnII atom lies on a crystallographic twofold rotation axis and is coordinated by two O atoms and two N atoms from two bidentate 2-{[(9H-fluoren-2-yl)methylidene]amino}phenolate ligands within a distorted tetrahedral geometry. The dihedral angle between the two chelate rings is 82.92 (5)°. In the coordinated ligand, the phenol ring is twisted at 30.22 (9)° from the mean plane of the fluorene ring. In the crystal, O—HO hydrogen bonds link the complex molecules to the methanol solvent molecules.
organic compounds
Open access
In the title compound, C14H14N2O2S, the dihedral angles between the thiourea group and the methoxyphenyl and hydroxyphenyl rings are 61.91 (4) and 76.90 (4)°, respectively. The benzene rings are twisted with respect to each other, making a dihedral angle of 71.03 (4)°. The H atoms of the thiourea NH groups are positioned anti to each other. In the crystal, intermolecular N—HS, N—HO and O—HS hydrogen bonds link the molecules into a three-dimensional network.
organic compounds
Open access
In the title compound, C11H11N3O2S, the dihedral angle between the thiadiazole and phenyl rings is 28.08 (7)°. In the crystal, molecules are linked into an inversion dimer by a pair of intermolecular N—HN hydrogen bonds with an R22(8) graph-set motif.
organic compounds
Open access
The asymmetric unit of the title compound, C12H10N4O2S4·2C2H6OS, contains one half of the p-xylene molecule and one dimethyl sulfoxide molecule. The p-xylene molecule is located about a crystallographic inversion centre. In the molecule, the thiadiazole and benzene rings are almost perpendicular to one another, with a dihedral angle of 88.95 (6)°. In the crystal, an N—HO hydrogen bond is observed between the two components. The dimethyl sulfoxide molecule is disordered over two orientations with an occupancy ratio of 0.879 (1):0.121 (1).
organic compounds
Open access
In the title compound, C18H21NO4, the dihedral angles between the acetamide group and the methoxy- and hydroxy-substitured benzene rings are 80.81 (5) and 8.19 (12)°, respectively. The benzene rings are twisted with respect to each other, making a dihedral angle of 72.89 (5)°. In the crystal, N—HO and O—HO hydrogen bonds link the molecules into a three-dimensional network.
organic compounds
Open access
The asymmetric unit of the title compound, C2H3N3OS, contains three independent molecules which are essentially planar, with r.m.s. deviations of 0.011 (2)–0.027 (2) Å from the mean plane defined by the seven non-H atoms. In the crystal, N—HN and N—HO hydrogen bonds link the molecules into a sheet parallel to the (111) plane.
organic compounds
Open access
In the title compound, C12H12N6S4, the two terminal thiadiazole rings are twisted with respect to the central benzene ring, making dihedral angles of 54.28 (4) and 76.56 (3)°. The dihedral angle between the two thiadiazole rings is 27.77 (4)°. Intermolecular N—HN hydrogen bonds stabilize the crystal packing, linking the molecules into a tape along the b axis.
organic compounds
Open access
In the cation of the title salt, C28H27O3S+·CF3O3S-, the dihedral angle between the naphthalene ring system and the -C(=O)-O- plane is 80.39 (9)°. The three methyl groups of the tert-butyl group are each disordered over two orientations with an occupancy ratio of 0.712 (18):0.288 (18).