Acta Cryst. (2009). E65, o180-o181  [ doi:10.1107/S1600536808042797 ]

1-Benzothiophene-2-carbaldehyde 4-ethylthiosemicarbazone

S. F. Kayed, Y. Farina and J. Simpson

Abstract: The title compound, C₁₃H₁₅N₃S₂, crystallizes with two unique molecules, A and B, in the asymmetric unit. These differ principally in that the methyl group of the 4-ethylthiosemicarbazone moiety is ordered in molecule A but disordered over two positions with equal occupancies in molecule B. The benzothiophene group and the semicarbazone unit are inclined at dihedral angles of 11.78 (8)° for molecule A and 8.18 (13)° for molecule B. Weak intramolecular N-HN interactions contribute to the planarity of the semicarbazone units in both molecules and each molecule adopts an E configuration with respect to the C=N bonds. In the crystal structure, molecules form centrosymmetric dimers as a result of N-HS hydrogen bonds, augmented by C-HS interactions for molecule A and C-HS interactions for molecule B. Weak C-H interactions stack the dimers of both molecules into columns down the a axis.

Online 20 December 2008

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