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2-（1H-苯并咪唑-1-基）-1-（2-呋喃基）乙酮O-异丙基肟

2-(1H-Benzimidazol-1-yl)-1-(2-fur-yl)ethanone O-isopropyl-oxime.

作者信息

Ozel Güven Ozden, Erdoğan Taner, Coles Simon J, Hökelek Tuncer

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 17;65(Pt 7):o1604-5. doi: 10.1107/S1600536809022302.

DOI:10.1107/S1600536809022302
PMID:21582878
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969188/
Abstract

In the mol-ecule of the title compound, C(16)H(17)N(3)O(2), the planar benzimidazole ring system [maximum deviation = 0.015 (2) Å] is oriented at a dihedral angle of 72.17 (4)° with respect to the furan ring. An intra-molecular C-H⋯O inter-action results in the formation of a six-membered ring having an envelope conformation. In the crystal structure, inter-molecular C-H⋯N inter-actions link the mol-ecules into centrosymmetric R(2) (2)(18) dimers.

摘要

在标题化合物C(16)H(17)N(3)O(2)的分子中，平面苯并咪唑环系[最大偏差 = 0.015 (2) Å]相对于呋喃环的二面角为72.17 (4)°。分子内C—H⋯O相互作用导致形成具有信封构象的六元环。在晶体结构中，分子间C—H⋯N相互作用将分子连接成中心对称的R(2) (2)(18)二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91ee/2969188/78e4139258ab/e-65-o1604-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91ee/2969188/356a3a197d76/e-65-o1604-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91ee/2969188/78e4139258ab/e-65-o1604-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91ee/2969188/356a3a197d76/e-65-o1604-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91ee/2969188/78e4139258ab/e-65-o1604-fig2.jpg

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