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[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)


Linden, A; de Haro, T; Nevado, C (2012). [1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I). Acta Crystallographica. Section C, Crystal Structure Communications, 68(1):m1-m3.

Abstract

The molecule of the title compound, [AuCl(C27H36N2)], which
belongs to a class of potentially catalytically active N-heterocyclic carbene complexes, has crystallographic C2 symmetry and approximate C2v symmetry. The structure is isostructural with the CuI and AgI analogues. A previous report of the structure of the title compound as its toluene solvate [Fructos et al. (2005). Angew. Chem. Int. Ed. 44, 5284–5288] has inaccurate geometry for the complex molecule as a consequence of probable incorrect refinement in the space group Cc, instead of C2/c [Marsh (2009). Acta Cryst. B65, 782– 783]. The Au—C bond length of 1.998 (4) A ° in the title compound is more consistent with the mean distance of 1.979 (14) A ° found in 52 other reported [AuCl(carbene)] complexes than with the shorter distance of 1.942 (3) A ° given for the refinement in the space group Cc for the toluene solvate and the value of 1.939 A ° obtained from the recalculation of that structure in C2/c.

Abstract

The molecule of the title compound, [AuCl(C27H36N2)], which
belongs to a class of potentially catalytically active N-heterocyclic carbene complexes, has crystallographic C2 symmetry and approximate C2v symmetry. The structure is isostructural with the CuI and AgI analogues. A previous report of the structure of the title compound as its toluene solvate [Fructos et al. (2005). Angew. Chem. Int. Ed. 44, 5284–5288] has inaccurate geometry for the complex molecule as a consequence of probable incorrect refinement in the space group Cc, instead of C2/c [Marsh (2009). Acta Cryst. B65, 782– 783]. The Au—C bond length of 1.998 (4) A ° in the title compound is more consistent with the mean distance of 1.979 (14) A ° found in 52 other reported [AuCl(carbene)] complexes than with the shorter distance of 1.942 (3) A ° given for the refinement in the space group Cc for the toluene solvate and the value of 1.939 A ° obtained from the recalculation of that structure in C2/c.

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Language:English
Date:2012
Deposited On:29 Dec 2011 09:15
Last Modified:05 Apr 2016 15:13
Publisher:Wiley-Blackwell
ISSN:0108-2701
Funders:UZH
Publisher DOI:https://doi.org/10.1107/S0108270111051365

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