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8-Methyl-2-oxo-4-(thiophen-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
In the title compound, C(15)H(14)N(2)OS, the pyridinone ring in the fused-ring system is nearly planar (r.m.s. deviation = 0.011 Å) and the cyclohexene ring has a twisted half-boat conformation with the methylene C atom adjacent to the methine C atom deviating by 0.592 (7) Å from the plane defined...
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/PMC3394069/ https://www.ncbi.nlm.nih.gov/pubmed/22798934 http://dx.doi.org/10.1107/S160053681202836X |
Sumario: | In the title compound, C(15)H(14)N(2)OS, the pyridinone ring in the fused-ring system is nearly planar (r.m.s. deviation = 0.011 Å) and the cyclohexene ring has a twisted half-boat conformation with the methylene C atom adjacent to the methine C atom deviating by 0.592 (7) Å from the plane defined by the remaining five atoms (r.m.s. deviation = 0.108 Å). The thienyl ring is disordered over two almost coplanar positions of opposite orientation in a 0.649 (4):0.351 (4) ratio, and forms dihedral angles of 51.4 (3) (major component) and 54.2 (3)°, respectively, with the pyridinone ring. In the crystal, inversion-related molecules associate via an eight-membered {⋯HNCO}(2) synthon and these are linked into a linear supramolecular chain along the a axis by weak π–π interactions that occur between centrosymmetrically related pyridinone rings [centroid–centroid distance = 3.889 (2) Å]. |
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