2-（1H-苯并咪唑-2-基）苯酚
2-(1H-Benzimidazol-2-yl)phenol.
作者信息
Prakash S M, Thiruvalluvar A, Rosepriya S, Srinivasan N
机构信息
Research and Development Center, Bharathiar University, Coimbatore 641 046, Tamilnadu, India ; Department of Chemistry, Annamaliar College of Engineering, Mudaiyur 606 902, Tamilnadu, India.
Postgraduate Research Department of Physics, Rajah Serfoji Government College (Autonomous), Thanjavur 613 005, Tamilnadu, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 22;70(Pt 2):o184. doi: 10.1107/S1600536814001366. eCollection 2014 Feb 1.
The title mol-ecule, C13H10N2O, is essentially planar, the maximum deviation from the plane of the non-H atoms being 0.016 (2) Å. The imidazole ring makes a dihedral angle of 0.37 (13)° with the attached benzene ring. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked through N-H⋯O hydrogen bonds, forming chains propagating in [001]. The crystal packing also features four π-π stacking inter-actions involving the imidazole ring, fused benzene ring and attached benzene ring system [centroid-centroid distances = 3.6106 (17), 3.6108 (17), 3.6666 (17) and 3.6668 (17) Å].
标题分子C₁₃H₁₀N₂O基本呈平面结构，非氢原子平面的最大偏差为0.016 (2) Å。咪唑环与相连的苯环形成的二面角为0.37 (13)°。分子内的O—H⋯N氢键形成了一个S(6)环模式。在晶体中，分子通过N—H⋯O氢键相连，形成沿[001]方向延伸的链。晶体堆积还具有涉及咪唑环、稠合苯环和相连苯环体系的四个π-π堆积相互作用[质心-质心距离 = 3.6106 (17)、3.6108 (17)、3.6666 (17)和3.6668 (17) Å]。
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