Nesterov Volodymyr V, Sarkisov Sergey S, Shulaev Vladimir, Nesterov Vladimir N
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1505-6. doi: 10.1107/S1600536811018587. Epub 2011 May 25.
The title compound, C(26)H(21)Cl(2)NO, crystallizes with two symmetry-independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the central heterocyclic ring adopts a sofa conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviations of 0.011 (1) and 0.036 (1) Å in mol-ecules A and B, respectively] and the two almost planar [maximum deviations of 0.020 (1) and 0.008 (1) Å in A and 0.007 (1) and 0.011 (1) in B] side-chain fragments that include the aromatic ring and bridging atoms are 20.1 (1) and 31.2 (1)° in mol-ecule A, and 26.4 (1) and 19.6 (1)° in mol-ecule B. The dihedral angles between the planar part of the heterocyclic ring and the benzyl substituent are 79.7 (1) and 53.2 (1)° in mol-ecules A and B, respectively. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the two independent mol-ecules into dimers.
标题化合物C(26)H(21)Cl(2)NO在不对称单元中结晶出两个对称独立的分子（A和B）。在这两个分子中，中心杂环呈沙发构象。该中心杂环平面部分[在分子A和B中最大偏差分别为0.011 (1)和0.036 (1) Å]与包含芳环和桥连原子的两个几乎平面的[在A中最大偏差为0.020 (1)和0.008 (1) Å，在B中为0.007 (1)和0.011 (1) Å]侧链片段之间的二面角在分子A中为20.1 (1)°和31.2 (1)°，在分子B中为26.4 (1)°和19.6 (1)°。杂环平面部分与苄基取代基之间的二面角在分子A和B中分别为79.7 (1)°和53.2 (1)°。在晶体中，弱的分子间C-H⋯O氢键将两个独立分子连接成二聚体。
