ABSTRACT: In the title compound, C(4)H(3)Cl(2)NS, the chloro-methyl C and 2-position Cl atoms lie close to the mean plane of the thia-zole ring [deviations = 0.0568?(2) and 0.0092?(1)?Å, respectively]. No classical hydrogen bonds are found in the crystal structure.
Project description:The title compound, C(15)H(8)Cl(2)N(2)O(2)S, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the 4-chloro-3-nitro-phenyl ring and the thia-zole ring are 0.5?(1) and 7.1?(1)° and those between the 4-chloro-phenyl ring and the thia-zole ring are 7.1?(1) and 7.4?(1)° in the two mol-ecules. The crystal structure is stabilized by inter-molecular C-H?Cl and C-H?O hydrogen bonds.
Project description:The asymmetric unit of the title compound, C16H12ClN3S, contains two independent mol-ecules whose conformations differ primarily in the orientations of the phenyl and chloro-benzene rings with respect to the thia-zole ring. In the first mol-ecule, the dihedral angles are 3.0?(1) and 9.2?(1)°, respectively, for the phenyl ring and the chloro-benzene ring, while in the second mol-ecule, the corresponding angles are 18.6?(1) and 23.4?(1)°. In the crystal, the two independent mol-ecules are associated via complementary N-H?N hydrogen bonds into a dimer. These dimers are associated through weak C-H?Cl and C-H?S inter-actions into supra-molecular chains propagating along the a-axis direction.
Project description:In the title compound, C(14)H(17)ClN(2)S, the dihedral angle between the planes of the thia-zole and chloro-phenyl rings is 88.86?(3)°. In the crystal, inversion dimers occur, linked by pairs of N-H?N hydrogen bonds.
Project description:In the title compound, [Zn(C(4)H(5)O(2))Cl(C(6)H(6)N(4)S(2))]·H(2)O, the Zn(II) cation is coordinated by a bidentate diamino-bithia-zole (DABT) ligand, a but-2-enoate anion and a Cl(-) anion in a distorted tetra-hedral geometry. Within the DABT ligand, the two thia-zole rings are twisted to each other at a dihedral angle of 4.38?(10)°. An intra-molecular N-H?O inter-action occurs. The centroid-centroid distance of 3.6650?(17)?Å and partially overlapped arrangement between nearly parallel thia-zole rings of adjacent complexes indicate the existence of ?-? stacking in the crystal structure. Extensive O-H?Cl, O-H?O, N-H?Cl and N-H?O hydrogen bonding helps to stabilize the crystal structure.
Project description:The title mol-ecule, C(8)H(6)BrNS(2), is almost planar with a dihedral angle of 0.9?(1)° between the benzene and thia-zole rings. The values of the geometry-based index of aromaticity (HOMA) and the nucleus-independent chemical shift (NICS) for the two cyclic fragments of the title mol-ecule are 0.95 and -9.61, respectively, for the benzene ring, and 0.69 and -7.71, respectively, for the thia-zole ring. They show that the benzene ring exhibits substanti-ally higher cyclic ?-electron delocalization than the thia-zole ring. Comparison with other similar benzothia-zole fragments reveals a similar trend.
Project description:In the title compound, [CdCl(2)(C(4)H(6)N(2)S)(2)], the Cd(II) atom is coordinated by two chlorido ligands and two N atoms of the 2-amino-5-methyl-1,3-thia-zole (amtz) ligands in a slightly distorted tetra-hedral coordination geometry. Intra- and inter-molecular N-H?Cl hydrogen bonding stabilizes the crystal structure. A weak S?Cl inter-action [3.533?(2)?Å] is observed between neighboring mol-ecules.
Project description:The title compound, C(19)H(15)ClN(2)O(5)S, contains two mol-ecules (A and B) in the asymmetric unit. In mol-ecule A, the dihedral angles between the thia-zole ring and the pendant chloro-benzene and nitro-benzene rings are 72.14?(15) and 3.03?(15)°, respectively. The corresponding angles for mol-ecule B are 45.56?(16) and 1.51?(14)°, respectively. In the crystal, both mol-ecules form inversion dimers linked by pairs of weak C-H?O inter-actions.
Project description:In the title compound, C20H17ClN2O2S, the dihedral angle between the planes of the benzo-thia-zole fused ring system (r.m.s. deviation = 0.024?Å) and the chloro-benzene ring is 89.62?(12)°. The ester C-O-C-C side chain has an anti orientation [torsion angle = -155.2?(3)°]. In the crystal, weak aromatic ?-? stacking inter-actions are observed between the phenyl and pyrimidine rings [centroid-centroid seperation = 3.666?(2)?Å].
Project description:The title compound, C(14)H(18)ClN(2)S(+)·Cl(-), crystallizes with two formula units in the asymmetric unit. The dihedral angles between the mean planes of the chloro-phenyl and thia-zole rings are 87.8?(2) and 88.0?(2)° in the two independent mol-ecules. In the crystal, the anions and cations are connected by N-H?Cl hydrogen bonds.
Project description:In the title compound, C21H13Cl2NO2S, the benzo-thia-zole ring makes dihedral angles of 0.94?(1) and 70.65?(5)° with the 4-chloro-phenyl-methanone unit and the 5-chloro-phenyl ring, respectively. The dihedral angle between the 4-chloro-phenyl-methanone unit and the 5-chloro-phenyl ring is 66.20?(5)°. The crystal structure consists of dimeric units generated by C-H?N hydrogen bonds, further linked by C-H?O and C-H?? inter-actions, leading to a three-dimensional network.