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2-(1H-苯并咪唑-1-基)-1-(2-呋喃基)乙酮O-丙基肟

2-(1H-Benzimidazol-1-yl)-1-(2-furyl)ethanone O-propyloxime.

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 6;65(Pt 7):o1517-8. doi: 10.1107/S1600536809020844.

DOI:10.1107/S1600536809020844
PMID:21582809
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969417/
Abstract

In the mol-ecule of the title compound, C(16)H(17)N(3)O(2), the planar benzimidazole ring system [maximum deviation = 0.013 (1) Å] is oriented at a dihedral angle of 75.32 (4)° with respect to the furan ring. An intra-molecular C-H⋯O inter-action results in the formation of a planar six-membered ring [maximum deviation = 0.019 (15) Å], which is oriented at a dihedral angle of 1.91 (3)° with respect to the adjacent furan ring. In the crystal structure, inter-molecular C-H⋯N inter-actions link the mol-ecules into centrosymmetric R(2) (2)(18) dimers. In addition, the structure is stabilized by π-π contacts between the imidazole rings [centroid-centroid distance = 3.5307 (8) Å] and weak C-H⋯π inter-actions.

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 = 0.013 (1) Å]相对于呋喃环的二面角为75.32 (4)°。分子内C-H⋯O相互作用导致形成一个平面六元环[最大偏差 = 0.019 (15) Å],该六元环相对于相邻呋喃环的二面角为1.91 (3)°。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。此外,该结构通过咪唑环之间的π-π接触[质心-质心距离 = 3.5307 (8) Å]和弱C-H⋯π相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7714/2969417/dce8434a4ae4/e-65-o1517-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7714/2969417/2dec6d8e0b5e/e-65-o1517-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7714/2969417/dce8434a4ae4/e-65-o1517-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7714/2969417/2dec6d8e0b5e/e-65-o1517-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7714/2969417/dce8434a4ae4/e-65-o1517-fig2.jpg

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