NDLI: Crystal structure of di-chlorido-bis-(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II).

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Crystal structure of di-chlorido-bis-(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II).

Content Provider	Europe PMC
Author	Flörke, Ulrich Ahmida, Aziza Egold, Hans Henkel, Gerald
Copyright Year	2014
Abstract	The molecular structure of the title compound, [ZnCl2(C11H20N2S)2], shows tetrahedral Zn coordination from two Cl ligands and two thione groups. The Zn—Cl bond lengths differ sligthly at 2.2310 (10) and 2.2396 (11) Å while the Zn—S bond lengths are equal at 2.3663 (9) and 2.3701 (10) Å. The Cl—Zn—Cl angle is 116.04 (4) and S—Zn—S is 101.98 (3)°. All other angles at the central Zn atom range from 108.108 (3) to 110.21 (4)°. The C—S—Zn angles are 100.75 (10) and 103.68 (11)°, the difference most probably resulting from packing effects, as both the C—S and both the S—Zn bonds are equal in each case. The two imidazole ring planes make a dihedral angle of 67.9 (1)°. The CH3 groups of one isopropyl moiety are disordered over two sets of sites with occupation factors of 0.567 (15) and 0.433 (15). It may be noteworthy that the isomolecular Cu complex shows a different crystal packing (group–subgroup relation) with the Cu atom lying on a twofold rotation axis. In the crystal, the shortest non-bonding contact is a C—H⋯Cl interaction. This leads to the formation of centrosymmetric dimers that are stacked along the c-axis.
Journal	Acta crystallographica. Section E, Structure Reports Online
Volume Number	70
PubMed Central reference number	PMC4257301
Issue Number	Pt 11
Issue Number	pt 11
PubMed reference number	25484787
e-ISSN	16005368
DOI	10.1107/s1600536814023642
Language	English
Publisher	International Union of Crystallography
Publisher Date	2014-10-31
Access Restriction	Open
Rights License	This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permitsunrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. © Flörke et al. 2014
Subject Keyword	crystal structure imidazolinethiones zinc(II) complex,
Content Type	Text
Resource Type	Article
Subject	Chemistry Condensed Matter Physics Materials Science

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