Date Published: July 01, 2012
Publisher: International Union of Crystallography
Author(s): Hoong-Kun Fun, Tze Shyang Chia, Mahesh Padaki, Arun M. Isloor, A. F. Ismail.
http://doi.org/10.1107/S1600536812028930
Abstract
The asymmetric unit of the title compound, C21H18O2S, consists of two crystallographically independent molecules (A and B). The molecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (molecule A) and 52.69 (12)° (molecule B) with the benzene ring. In molecule 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 molecule B. In the crystal, molecules are linked by intermolecular C—H⋯O hydrogen bonds into head-to-tail chains along the a axis. The crystal packing also features C—H⋯π interactions. 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).
Partial Text
For the preparation and applications of chalcones, see: Mori et al. (2003 ▶); Kumar et al. (2006 ▶); Amir et al. (2008 ▶); Atwal et al. (1990 ▶). For a related structure, see: Kobkeatthawin et al. (2011 ▶). For reference bond lengths, see: Allen et al. (1987 ▶). For stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ▶).
Source:
http://doi.org/10.1107/S1600536812028930