Abstract
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—H⋯Cl hydrogen bonds. In the crystal, intermolecular N—H⋯Cl 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.
Highlights
In the title compound, [ZnCl2(C7H6N2S)2]0.5CH3CH2OH, the ZnII atom is coordinated by two N atoms of two 2aminobenzothiazole ligands and two Cl atoms within a distorted tetrahedral geometry
The molecular structure is stabilized by intramolecular N—H Cl hydrogen bonds
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
Summary
Information and Display Materials, and Center for Plastic Information System, Pusan. National University, Busan 609-735, Republic of Korea, and bDepartment of Chemistry, Chungnam National University, Daejeon 305-764, Republic of Korea. Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.007 Å; some non-H atoms missing; R factor = 0.046; wR factor = 0.136; data-to-parameter ratio =. 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—H Cl hydrogen bonds. Intermolecular N—H Cl hydrogen bonds link the molecules into a three-dimensional network. 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
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