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2-(1H-苯并咪唑-2-基)-6-乙氧基苯酚

2-(1H-Benzoimidazol-2-yl)-6-ethoxy-phenol.

作者信息

Yeap Chin Sing, Kargar Hadi, Kia Reza, Jamshidvand Arezoo, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 14;65(Pt 4):o745-6. doi: 10.1107/S1600536809008071.

Abstract

The title Schiff base compound, C(15)H(14)N(2)O(2), consists of two crystallographically independent mol-ecules, A and B. Mol-ecule A is almost planar, whereas mol-ecule B is slightly twisted, the dihedral angles between the benzimidazole group and the benzene rings being 2.65 (12) and 13.17 (15)°, respectively. The methyl group of mol-ecule B is disordered over two positions, with a refined site-occupancy ratio of 0.581 (7):0.419 (7). In each mol-ecule, intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. In the crystal structure, both types of mol-ecules are linked via inter-molecular bifurcated N-H⋯O hydrogen bonds into one-dimensional extended chains along [010] and form R(1) (2)(5) ring motifs. The crystal structure is further stabilized by inter-molecular C-H⋯π and π-π inter-actions [centroid-centroid distances = 3.4758 (16)-3.596 (2) Å].

摘要

席夫碱化合物C(15)H(14)N(2)O(2)由两个晶体学独立的分子A和B组成。分子A几乎呈平面状,而分子B略有扭曲,苯并咪唑基团与苯环之间的二面角分别为2.65 (12)°和13.17 (15)°。分子B的甲基在两个位置上无序分布,精修的位点占有率比为0.581 (7):0.419 (7)。在每个分子中,分子内O-H⋯N氢键生成S(6)环基序。在晶体结构中,两种类型的分子通过分子间分叉的N-H⋯O氢键沿[010]连接成一维延伸链,并形成R(1) (2)(5)环基序。晶体结构通过分子间C-H⋯π和π-π相互作用[质心-质心距离 = 3.4758 (16)-3.596 (2) Å]进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff0/2969036/2eaf93528b76/e-65-0o745-fig1.jpg

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