Nesterov Volodymyr V, Sarkisov Sergey S, Shulaev Vladimir, Nesterov Vladimir N
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o760-1. doi: 10.1107/S1600536811006994. Epub 2011 Mar 2.
In the title mol-ecule, C(20)H(17)Cl(2)NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004 (1) Å] and the two almost planar side-chain fragments [maximum deviations = 0.015 (1) and 0.019 (1) Å], that include the aromatic ring and bridging atoms, are 18.1 (1) and 18.0 (1)°. In the crystal, pairs of weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into inversion dimers that form stacks along the a axis. The structure is further stabilized by weak inter-molecular C-H⋯π inter-actions involving the benzene rings.
在标题分子C(20)H(17)Cl(2)NO中，中心杂环呈扁平船式构象。该中心杂环平面部分[最大偏差 = 0.004 (1) Å]与两个几乎呈平面的侧链片段[最大偏差 = 0.015 (1)和0.019 (1) Å]（包括芳环和桥连原子）之间的二面角分别为18.1 (1)°和18.0 (1)°。在晶体中，成对的弱分子间C-H⋯O氢键将分子连接成反向二聚体，这些二聚体沿a轴形成堆积。该结构通过涉及苯环的弱分子间C-H⋯π相互作用进一步稳定。
