(2E)-3-(6-Meth-oxy-naphthalen-2-yl)-1-[4-(methyl-sulfan-yl)phen-yl]prop-2-en-1-one.

ABSTRACT: 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?? 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).

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3394057 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature