2-（6-氯-2,3,4,9-四氢-1H-咔唑-1-亚基）丙二腈
2-(6-Chloro-2,3,4,9-tetra-hydro-1H-carbazol-1-yl-idene)propane-dinitrile.
作者信息
Sekar M, Velmurugan R, Vijayasankar A V, Ramesh P, Ponnuswamy M N
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3268. doi: 10.1107/S1600536811046575. Epub 2011 Nov 12.
Abstract
The mol-ecular conformation of the title compound, C(15)H(10)ClN(3), is stabilized by an intra-molecular N-H⋯N hydrogen bond with an S(7) ring motif. The crystal packing is controlled by N-H⋯N and C-H⋯N inter-molecular inter-actions. One of the methyl-ene groups of the cyclo-hexene ring is disordered over two positions with refined occupancies of 0.457 (12) and 0.543 (12).
摘要
标题化合物C(15)H(10)ClN(3)的分子构象通过具有S(7)环模式的分子内N-H⋯N氢键得以稳定。晶体堆积由分子间的N-H⋯N和C-H⋯N相互作用控制。环己烯环的一个亚甲基在两个位置上无序，其精修占有率分别为0.457 (12)和0.543 (12)。
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