Date Published: July 01, 2012
Publisher: International Union of Crystallography
Author(s): Abdullah M. Asiri, Hassan M. Faidallah, Alaa Anwar Ahmad Saqer, Seik Weng Ng, Edward R. T. Tiekink.
http://doi.org/10.1107/S160053681202836X
Abstract
In the title compound, C15H14N2OS, 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].
Partial Text
For background to the cardiotonic and anti-inflammatory properties of this class of compounds, see: Behit & Baraka (2005 ▶); Girgis et al. (2007 ▶). For a related structure, see: Asiri et al. (2011 ▶).
Source:
http://doi.org/10.1107/S160053681202836X