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4-(4-Bromophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3-carbonitrile
In the title compound, C(17)H(17)BrN(2)O, the N-containing ring adopts an envelope conformation with the C atom carrying the phenyl ring displaced by −0.531 (9) Å from the plane defined by the remaining five atoms (r.m.s. deviation = 0.0099 Å). The benzene ring is almost orthogonal to the ring to wh...
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/PMC3414305/ https://www.ncbi.nlm.nih.gov/pubmed/22904838 http://dx.doi.org/10.1107/S1600536812029820 |
Sumario: | In the title compound, C(17)H(17)BrN(2)O, the N-containing ring adopts an envelope conformation with the C atom carrying the phenyl ring displaced by −0.531 (9) Å from the plane defined by the remaining five atoms (r.m.s. deviation = 0.0099 Å). The benzene ring is almost orthogonal to the ring to which it is attached, the C(CN)—C—C(Ph)—C(Ph) torsion angle being −101.3 (7)°. The cyclohexene ring is disordered over two conformations in a statistical ratio. The most prominent interactions in the crystal are pairs of N—H⋯O hydrogen bonds between inversion-related molecules. The resulting dimers are linked into a three-dimensional architecture by C—H⋯N, C—H⋯Br and C—H⋯π interactions. |
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