2-Ethylsulfanyl-7-fluoro-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one

The asymmetric unit of the title compound, C13H10FN3OS2, contains two independent molecules, which differ slightly in the relative orientations of the triazole and ethylsulfanyl groups with respect to the planar thiochromen-4-one frameworks. The dihedral angles between the mean planes of the triazol...

Full description

Bibliographic Details
Main Authors: Tao Xiao, Yang Li, Dong-liang Liu, Guang-yan Yu
Format: Article
Language:English
Published: International Union of Crystallography 2010-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810030175
Description
Summary:The asymmetric unit of the title compound, C13H10FN3OS2, contains two independent molecules, which differ slightly in the relative orientations of the triazole and ethylsulfanyl groups with respect to the planar thiochromen-4-one frameworks. The dihedral angles between the mean planes of the triazole groups and the corresponding six-membered C5OS rings are 56.8 (1) and 52.9 (1)°, while the S—C—S—C dihedral angles are −11.7 (2) and −16.3 (2)°. In the crystal structure, intermolecular C—H...O and C—H...N hydrogen bonds link the molecules in a stacked arrangement along the a axis. A weak intramolecular C—H...·O interaction results in the formation of a non-planar five-membered ring.
ISSN:1600-5368