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6-Amino-8-(2-bromophenyl)-1,7,8,8a-tetrahydro-3H-isothiochromene-5,7,7-tricarbonitrile dimethylformamide solvate
In the title compound, C(18)H(13)BrN(4)S·C(3)H(7)NO, 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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971116/ https://www.ncbi.nlm.nih.gov/pubmed/21578244 http://dx.doi.org/10.1107/S1600536809039105 |
Sumario: | In the title compound, C(18)H(13)BrN(4)S·C(3)H(7)NO, 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 [R (2) (2)(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—H⋯O intermolecular hydrogen bond, resulting in a chain of molecules. |
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