8-Methyl-2-oxo-4-(thio-phen-2-yl)-1,2,5,6,7,8-hexa-hydro-quinoline-3-carbonitrile.

ABSTRACT: 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 cyclo-hexene ring has a twisted half-boat conformation with the methyl-ene 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 mol-ecules associate via an eight-membered {?HNCO}(2) synthon and these are linked into a linear supra-molecular chain along the a axis by weak ?-? inter-actions that occur between centrosymmetrically related pyridinone rings [centroid-centroid distance = 3.889?(2)?Å].

SUBMITTER: Asiri AM 

PROVIDER: S-EPMC3394069 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature