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

DOI: 10.1107/s1600536810030175

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Abstract:

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.

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