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A monoclinic polymorph of [(Z)-N-(3-chloro-phen-yl)-O-methyl-thio-carbamato-?S](tri-phenyl-phosphane-?P)gold(I): crystal structure and Hirshfeld surface analysis.

ABSTRACT: The title compound, [Au(C8H7ClNOS)(C18H15P)], is a monoclinic (P21/n, Z' = 1; form ?) polymorph of the previously reported triclinic form (P-1, Z' = 1; form ?) [Tadbuppa & Tiekink (2010 ?). Acta Cryst. E66, m664]. The mol-ecular structures of both forms feature an almost linear gold(I) coordination geometry [P-Au-S = 175.62?(5)° in the title polymorph], being coordinated by thiol-ate S and phosphane P atoms, a Z conformation about the C=N bond and an intra-molecular Au?O contact. The major conformational difference relates to the relative orientations of the residues about the Au-S bond: the P-Au-S-C torsion angles are -8.4?(7) and 106.2?(7)° in forms ? and ?, respectively. The mol-ecular packing of form ? features centrosymmetric aggregates sustained by aryl-C-H?O inter-actions, which are connected into a three-dimensional network by aryl-C-H?? contacts. The Hirshfeld analysis of forms ? and ? shows many similarities with the notable exception of the influence of C-H?O inter-actions in form ?.

SUBMITTER: Yeo CI 

PROVIDER: S-EPMC4971843 | biostudies-other | 2016 Aug

REPOSITORIES: biostudies-other

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A monoclinic polymorph of [(Z)-N-(3-chloro-phen-yl)-O-methyl-thio-carbamato-κS](tri-phenyl-phosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis.

Yeo Chien Ing CI   Tan Sang Loon SL   Tiekink Edward R T ER  

Acta crystallographica. Section E, Crystallographic communications 20160707 Pt 8

The title compound, [Au(C8H7ClNOS)(C18H15P)], is a monoclinic (P21/n, Z' = 1; form β) polymorph of the previously reported triclinic form (P-1, Z' = 1; form α) [Tadbuppa & Tiekink (2010 ▸). Acta Cryst. E66, m664]. The mol-ecular structures of both forms feature an almost linear gold(I) coordination geometry [P-Au-S = 175.62 (5)° in the title polymorph], being coordinated by thiol-ate S and phosphane P atoms, a Z conformation about the C=N bond and an intra-molecular Au⋯O contact. The major confo  ...[more]

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