4-溴-2-(1H-咪唑并[4,5-b]吡啶-2-基)苯酚的晶体结构
Crystal structure of 4-bromo-2-(1H-imidazo[4,5-b]pyridin-2-yl)phenol.
作者信息
Ouari Kamel
机构信息
Laboratoire d'Electrochimie, d'Ingénierie Moléculaire et de Catalyse Redox, Faculty of Technology, University of Ferhat Abbas Sétif-1, 19000 Sétif, Algeria.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Nov 28;71(Pt 12):o991-2. doi: 10.1107/S2056989015022197. eCollection 2015 Dec 1.
In the title compound, C12H8BrN3O, the 4-bromo-phenol ring is coplanar with the planar imidazo[4,5-b]pyridine moiety (r.m.s deviation = 0.015 Å), making a dihedral angle of 1.8 (2)°. There is an intra-molecular O-H⋯N hydrogen bond forming an S(6) ring motif. In the crystal, mol-ecules are linked via N-H⋯N and O-H⋯Br hydrogen bonds, forming undulating sheets parallel to (10-2). The sheets are linked by π-π inter-actions [inter-centroid distance = 3.7680 (17) Å], involving inversion-related mol-ecules, forming a three-dimensional structure.
在标题化合物C₁₂H₈BrN₃O中，4-溴苯酚环与平面的咪唑并[4,5-b]吡啶部分共面（均方根偏差 = 0.015 Å），二面角为1.8 (2)°。存在一个分子内O-H⋯N氢键，形成S(6)环模式。在晶体中，分子通过N-H⋯N和O-H⋯Br氢键相连，形成平行于(10-2)的起伏片层。这些片层通过π-π相互作用[质心间距 = 3.7680 (17) Å]相连，涉及对称相关的分子，形成三维结构。
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