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2-Amino-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carbonitrile.

作者信息

Silva Willams L, de Lima Maria do Carmo A, Galdino Suely L, Pitta Ivan R, De Simone Carlos A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3161. doi: 10.1107/S1600536811045338. Epub 2011 Nov 2.

Abstract

The title compound, C(9)H(10)N(2)S, was synthesized according to Gewald procedures by the reaction of cyclo-hexa-none with malonitrile and sulfur in the presence morpholine. The cyclo-hexane ring adopts a half-chair conformation and the thio-phene ring is essentially planar (r.m.s. deviation = 0.05 Å). The crystal packing is stabilized by two inter-molecular N-H⋯N hydrogen bonds, which link the mol-ecules into centrosymmetric rings with graph-set motif R(2) (2)(12).

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d2e1/3238832/45b47fdd6a74/e-67-o3161-fig1.jpg

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