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1-[2-(2,6-二氯苄氧基)-2-(2-呋喃基)乙基]-1H-苯并咪唑

1-[2-(2,6-Dichloro-benz-yloxy)-2-(2-fur-yl)eth-yl]-1H-benzimidazole.

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. 2008 Jul 9;64(Pt 8):o1437. doi: 10.1107/S1600536808020758.

DOI:10.1107/S1600536808020758
PMID:21203152
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2962068/
Abstract

In the mol-ecule of the title compound, C(20)H(16)Cl(2)N(2)O(2), the planar benzimidazole ring system is oriented with respect to the furan and dichloro-benzene rings at dihedral angles of 53.39 (6) and 31.04 (5)°, respectively. In the crystal structure, inter-molecular C-H⋯Cl hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(8) dimers. These dimers are connected via a C-H⋯π contact between the benzimidazole and the furan rings, and π-π contacts between the benz-imidazole and dichloro-benzene ring systems [centroid-centroid distances = 3.505 (1), 3.567 (1), 3.505 (1) and 3.567 (1) Å].

摘要

在标题化合物C₂₀H₁₆Cl₂N₂O₂的分子中,平面苯并咪唑环系相对于呋喃环和二氯苯环的二面角分别为53.39(6)°和31.04(5)°。在晶体结构中,分子间的C—H⋯Cl氢键将分子连接成中心对称的R₂²(8)二聚体。这些二聚体通过苯并咪唑环与呋喃环之间的C—H⋯π接触以及苯并咪唑环与二氯苯环系之间的π—π接触相连[质心间距 = 3.505(1)、3.567(1)、3.505(1)和3.567(1)Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4b00/2962068/6406db679658/e-64-o1437-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4b00/2962068/3e3a8c947d93/e-64-o1437-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4b00/2962068/6406db679658/e-64-o1437-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4b00/2962068/3e3a8c947d93/e-64-o1437-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4b00/2962068/6406db679658/e-64-o1437-fig2.jpg

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