Sun Jiu-Long, Wang Meng, Zhu Ying-Jie, Li Fang, Bi Sai
College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, 266042 Qingdao, Shandong, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o122. doi: 10.1107/S1600536807062587.
In the mol-ecule of the title compound, C(23)H(18)BrN(3)O(3), the benzotriazole mean plane makes dihedral angles of 1.26 (1) and 87.39 (1)° with the tolyl and bromophenyl benzene rings, respectively, and the dihedral angle between the benzene rings is 87.27 (1)°. In the crystal structure, mol-ecules are linked into chains along the a axis by C-H⋯O inter-molecular hydrogen bonds. The structure is further stabilized by C-H⋯π and π-π inter-actions, with a distance of 3.700 (1) Å between the centroids of the bromophenyl and benzotriazole benzene rings related by symmetry code (x, -1 + y, z).
在标题化合物C₂₃H₁₈BrN₃O₃的分子中，苯并三唑平均平面与甲苯基苯环和溴苯基苯环的二面角分别为1.26 (1)°和87.39 (1)°，苯环之间的二面角为87.27 (1)°。在晶体结构中，分子通过C—H⋯O分子间氢键沿a轴连接成链。该结构通过C—H⋯π和π-π相互作用进一步稳定，由对称代码(x, -1 + y, z)相关的溴苯基和苯并三唑苯环的质心之间的距离为3.700 (1) Å。
