Acta Cryst. (2009). E65, o2628  [ doi:10.1107/S1600536809039105 ]

6-Amino-8-(2-bromophenyl)-1,7,8,8a-tetrahydro-3H-isothiochromene-5,7,7-tricarbonitrile dimethylformamide solvate

H.-Y. Zhang, J.-R. Wu and X.-S. Wang

Abstract: In the title compound, C₁₈H₁₃BrN₄S·C₃H₇NO, the thiopyran ring and the adjacent six-numbered ring adopt distorted boat conformations. The molecules, lying about inversion centers, form hydrogen-bonded dimers involving one of the H atoms on the amino group with the N atom of a cyano group of an adjacent molecule, resulting in a 12-membered ring system [R₂²(12) ring motif]. The other H atom of the amino group forms an intermolecular hydrogen bond with the O atom of the dimethylformamide (DMF) molecule. Another lone pair of electrons on the same carbonyl O atom of DMF molecule forms a non-classical C-HO intermolecular hydrogen bond, resulting in a chain of molecules.

Online 3 October 2009

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