Fun Hoong-Kun, Chia Tze Shyang, Padaki Mahesh, Isloor Arun M, Ismail A F
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2277-8. doi: 10.1107/S1600536812028930. Epub 2012 Jun 30.
The asymmetric unit of the title compound, C(21)H(18)O(2)S, consists of two crystallographically independent mol-ecules (A and B). The mol-ecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (mol-ecule A) and 52.69 (12)° (mol-ecule B) with the benzene ring. In mol-ecule A, the prop-2-en-1-one group forms dihedral angles of 22.84 (15) and 29.02 (12)° with the adjacent naphthalene ring system and benzene ring, respectively, whereas the corresponding angles are 30.04 (12) and 23.33 (12)° in mol-ecule B. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds into head-to-tail chains along the a axis. The crystal packing also features C-H⋯π inter-actions. The crystal studied was a pseudo-merohedral twin with twin law (100 0-10 00-1) and a refined component ratio of 0.6103 (16):0.3897 (16).
标题化合物C(21)H(18)O(2)S的不对称单元由两个晶体学独立的分子（A和B）组成。这些分子相对于中心C=C键呈反式构象。萘环系统与苯环的二面角在分子A中为51.62 (12)°，在分子B中为52.69 (12)°。在分子A中，2-丙烯-1-酮基团与相邻的萘环系统和苯环分别形成22.84 (15)°和29.02 (12)°的二面角，而在分子B中相应的角度分别为30.04 (12)°和23.33 (12)°。在晶体中，分子通过分子间C-H⋯O氢键沿a轴连接成头对头的链。晶体堆积还具有C-H⋯π相互作用。所研究的晶体是一个假单形孪晶，孪晶法则为(100 0-10 00-1)，细化的组分比为0.6103 (16):0.3897 (16)。
