Fun Hoong-Kun, Quah Ching Kheng, Malladi Shridhar, Isloor Arun M, Shivananda Kammasandra N
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3104. doi: 10.1107/S1600536811044424. Epub 2011 Oct 29.
In the title mol-ecule, C(24)H(15)BrCl(2)N(2)O, the dihedral angles betwen the pyrazole ring and its N-bonded phenyl (A) and C-bonded bromo-benzene (B) rings are 10.34 (16) and 40.95 (15)°, respectively. The dihedral angle between rings A and B is 56.89 (17)°. The title mol-ecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, mol-ecules are linked into inversion dimers by pairs of C-H⋯O hydrogen bonds, generating R(2) (2)(14) loops. The crystal structure is further consolidated by C-H⋯π inter-actions.
在标题分子C(24)H(15)BrCl(2)N(2)O中，吡唑环与其N键合的苯基（A）环和C键合的溴苯（B）环之间的二面角分别为10.34 (16)°和40.95 (15)°。环A和B之间的二面角为56.89 (17)°。标题分子相对于无环C=C键呈反式构象。在晶体中，分子通过成对的C-H⋯O氢键连接成反向二聚体，形成R(2) (2)(14)环。晶体结构通过C-H⋯π相互作用进一步巩固。
