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Methyl N-(4-chlorophenyl)-N′-cyanocarbamimidothioate

✍ Scribed by Lu, Yin-Xiang


Book ID
104491006
Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
558 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis


Short halogen-halogen and sulfur-sulfur interactions have been exploited in the design of supramolecular assemblies. The intermolecular ClÁ Á ÁCl (3.581 A ˚) and SÁ Á ÁS (3.282 A ˚) distances in the crystal structure of the title compound, C 9 H 8 ClN 3 S, are shorter than the sum of the van der Waals radii. Classical N-HÁ Á ÁN and C-HÁ Á ÁN hydrogen bonds also contribute to the stabilization of the crystal structure.


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The title compound, C 14 H 10 ClN 3 O 4 , was obtained by the reaction of N-(4-chlorophenyl)-N 0 -(4-nitrobenzoyl)thiourea with cupric chloride dihydrate. Intermolecular N-HÁ Á ÁO hydrogen bonds link the molecules into centrosymmetric dimers. The crystal packing is further stabilized by weak C-HÁ Á