4-Phenyl-1 H -imidazole-2(3 H )-thione

In the asymmetric unit of the title compound, C 9 H 8 N 2 S, there are four symmetry-independent molecules ( Z ′ = 4). The geometrical features of these molecules are quite similar: in the normal probability plots the R 2 correlation factors for bond lengths and angles are generally around 0.95. The...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2012-06, Vol.68 (6), p.o1686-o1686
Main Authors: Owczarzak, Anita M., Kubicki, Maciej
Format: Article
Language:English
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Summary:In the asymmetric unit of the title compound, C 9 H 8 N 2 S, there are four symmetry-independent molecules ( Z ′ = 4). The geometrical features of these molecules are quite similar: in the normal probability plots the R 2 correlation factors for bond lengths and angles are generally around 0.95. The twist angles between the imidazole and phenyl rings (which are planar within 3σ) range from 9.0 (6) to 13.1 (5)°. In the crystal, pairs of independent molecules are joined by linear N—H...S and weak C—H...S hydrogen bonds, forming infinite ribbons, of the type ∼ ABABAB ∼ and ∼ CDCDCD ∼, propagating along [110]. Second-order hydrogen-bonded R 2 2 (8) rings are formed via interweaving infinite C 2 2 (8) chains.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536812020090