Wang Qiang, Yang Lei, Xu Zhouqing, Sun Yanchun
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):o1978. doi: 10.1107/S1600536809028487.
In the title compound, C(14)H(11)NO(2)S, the sulfoxide O atom is disordered over two sites with occupancies of 0.886 (4) and 0.114 (4), reflecting a partial inversion of the lone pair at the tetra-hedral S-atom site. In the crystal, a supra-molecular arrangement arises from weak inter-molecular C-H⋯O hydrogen bonds. π-π contacts between the aromatic rings of symmetry-related mol-ecules [centroid-centroid distances = 3.7547 (15) and 3.9577 (15) Å] in parallel accumulation further stabilize the crystal structure.
在标题化合物C₁₄H₁₁NO₂S中，亚砜O原子在两个位置上无序分布，占有率分别为0.886 (4)和0.114 (4)，这反映了四面体S原子位置上孤对电子的部分反转。在晶体中，通过弱的分子间C-H⋯O氢键形成了超分子排列。对称相关分子的芳环之间的π-π接触[质心-质心距离 = 3.7547 (15)和3.9577 (15) Å]以平行堆积的方式进一步稳定了晶体结构。
