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2-（3-氰基-4-{7-[1-（2-羟乙基）-3,3-二甲基-吲哚啉-2-亚基]庚-1,3,5-三烯基}-5,5-二甲基-2,5-二氢呋喃-2-亚基）丙二腈

2-(3-Cyano-4-{7-[1-(2-hy-droxy-eth-yl)-3,3-dimethyl-indolin-2-yl-idene]hepta-1,3,5-trien-yl}-5,5-dimethyl-2,5-dihydro-furan-2-yl-idene)malononitrile.

作者信息

Gainsford Graeme J, Bhuiyan M Delower H, Kay Andrew J

机构信息

Industrial Research Limited, PO Box 31-310, Lower Hutt, New Zealand 5010.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3026. doi: 10.1107/S1600536811042036. Epub 2011 Oct 22.

DOI:10.1107/S1600536811042036
PMID:22220040
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247422/
Abstract

The title compound, C(29)H(28)N(4)O(2), excluding the hydroxyethyl and methyl groups, is slightly twisted from planarity so that the terminating indol-2-yl-idene and furan-2-yl-idene moiety planes subtend a dihedral angle of 6.27 (8)°. A small inwards fold in the polymethine atom chain is consistent with centrosymmetric dimer formation via O-H⋯N(cyano) hydrogen bonds. In the crystal, the mol-ecules pack in layers approximately parallel to the (10[Formula: see text]) plane via pairs of O-H⋯N and C-H⋯N(cyano) inter-actions.

摘要

标题化合物C(29)H(28)N(4)O(2)，不包括羟乙基和甲基，略微偏离平面，使得末端吲哚-2-亚基和呋喃-2-亚基部分平面的二面角为6.27 (8)°。聚甲炔原子链中的一个小向内折叠与通过O-H⋯N(氰基)氢键形成中心对称二聚体相一致。在晶体中，分子通过O-H⋯N和C-H⋯N(氰基)相互作用对以层状堆积，这些层大致平行于(10[化学式：见原文])平面。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9e1e/3247422/c2fbfb5769f2/e-67-o3026-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9e1e/3247422/43fe8ba1bf09/e-67-o3026-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9e1e/3247422/c2fbfb5769f2/e-67-o3026-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9e1e/3247422/43fe8ba1bf09/e-67-o3026-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9e1e/3247422/c2fbfb5769f2/e-67-o3026-fig2.jpg

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