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2-Cyano-3-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)prop-2-enoic acid dimethyl sulfoxide monosolvate
In dimethyl sulfoxide solvated 9-(2-carboxy-2-cyanovinyl)julolidine, C(16)H(16)N(2)O(2)·C(2)H(6)OS, the essentially planar –CH=(CN)–CO(2)H substituent (r.m.s. deviation = 0.014 Å) is almost coplanar with respect to the benzene ring, the dihedral angle between the two planes being 0.48 (2)°. The c...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515293/ https://www.ncbi.nlm.nih.gov/pubmed/23284513 http://dx.doi.org/10.1107/S1600536812043383 |
Sumario: | In dimethyl sulfoxide solvated 9-(2-carboxy-2-cyanovinyl)julolidine, C(16)H(16)N(2)O(2)·C(2)H(6)OS, the essentially planar –CH=(CN)–CO(2)H substituent (r.m.s. deviation = 0.014 Å) is almost coplanar with respect to the benzene ring, the dihedral angle between the two planes being 0.48 (2)°. The conformations of the fused, non-aromatic rings were found to be half-chair. In the crystal, the acid molecule forms a hydrogen bond to the O atom of the solvent molecule. The acid molecule is disordered over two positions with respect to the methylene C atoms in a 1:1 ratio. The crystal studied was found to be a racemic twin. |
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