2-[4-(2-羟基-2-丙基)-1H-1,2,3-三唑-1-基]苯酚
2-[4-(2-Hy-droxy-propan-2-yl)-1H-1,2,3-triazol-1-yl]phenol.
作者信息
Zhang Li-Li, Yu Kai, Liu Ling-Ling, Guo Dian-Shun
机构信息
Department of Chemistry, Shandong Normal University, Jinan 250014, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1262. doi: 10.1107/S1600536812012925. Epub 2012 Mar 31.
In the title compound, C(11)H(13)N(3)O(2), the 1,2,3-triazole ring and the phenol ring form a dihedral angle of 55.46 (5)°. In the crystal, inversion-related mol-ecules associate through pairs of hy-droxy-phenol O-H⋯O hydrogen bonds, giving centrosymmetric cyclic dimers [graph set R(2) (2)(18)]. These dimers are linked into infinite chains along [001], giving an overall two-dimensional network structure parallel to the bc plane through hy-droxy O-H⋯N and triazole C-H⋯N hydrogen bonds.
在标题化合物C₁₁H₁₃N₃O₂中，1,2,3 - 三唑环与苯酚环形成的二面角为55.46 (5)°。在晶体中，通过羟基 - 苯酚O - H⋯O氢键对，与反演相关的分子缔合，形成中心对称的环状二聚体[图集R₂²(18)]。这些二聚体沿[001]方向连接成无限链，通过羟基O - H⋯N和三唑C - H⋯N氢键形成与bc平面平行的整体二维网络结构。
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