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Crystal structure of bis-[1,3,4,5-tetra-methyl-1H-imidazole-2(3H)-thione-?S]chlorido-copper(I).

ABSTRACT: The mol-ecular structure of the title compound, [CuCl(C7H12N2S)2], shows a slightly distorted trigonal-planar coordination geometry of the Cu atom. The Cu-Cl bond measures 2.2287?(9)?Å, and the two Cu-S bonds are significantly different from each other, with values of 2.2270?(10) and 2.2662?(10)?Å. Also, the S-Cu-Cl angles differ, with values of 113.80?(4) and 124.42?(4)°, while the S-Cu-S angle is 121.51?(4)°. The two imidazole rings are almost parallel, making a dihedral angle of 2.1?(2)°. In the crystal, the shortest C-H?Cl interactions stabilize a three-dimensional network with molecules linked into centrosymmetric dimers that are stacked along the b-axis direction.

SUBMITTER: Florke U

PROVIDER: S-EPMC4257435 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of bis-[1,3,4,5-tetra-methyl-1H-imidazole-2(3H)-thione-κS]chlorido-copper(I).

Flörke Ulrich U Ahmida Aziza A Egold Hans H Henkel Gerald G

Acta crystallographica. Section E, Structure reports online 20141115 Pt 12

The mol-ecular structure of the title compound, [CuCl(C7H12N2S)2], shows a slightly distorted trigonal-planar coordination geometry of the Cu atom. The Cu-Cl bond measures 2.2287 (9) Å, and the two Cu-S bonds are significantly different from each other, with values of 2.2270 (10) and 2.2662 (10) Å. Also, the S-Cu-Cl angles differ, with values of 113.80 (4) and 124.42 (4)°, while the S-Cu-S angle is 121.51 (4)°. The two imidazole rings are almost parallel, making a dihedral angle of 2.1 (2)°. In ...[more]

PMID: 25553008

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