Asiri Abdullah M, Faidallah Hassan M, Saqer Alaa Anwar Ahmad, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2291-2. doi: 10.1107/S160053681202836X. Epub 2012 Jun 30.
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 π-π inter-actions that occur between centrosymmetrically related pyridinone rings [centroid-centroid distance = 3.889 (2) Å].
在标题化合物C(15)H(14)N(2)OS中，稠环体系中的吡啶酮环近乎平面（均方根偏差 = 0.011 Å），环己烯环具有扭曲的半船式构象，与次甲基C原子相邻的亚甲基C原子偏离由其余五个原子所定义平面0.592 (7) Å（均方根偏差 = 0.108 Å）。噻吩环在两个几乎共面但取向相反的位置上无序，比例为0.649 (4):0.351 (4)，并且分别与吡啶酮环形成51.4 (3)°（主要组分）和54.2 (3)°的二面角。在晶体中，通过一个八元{⋯HNCO}(2) 合成子，与反演相关的分子缔合，并且通过在中心对称相关的吡啶酮环之间发生的弱π-π相互作用，这些分子沿着a轴连接成一条线性超分子链[质心-质心距离 = 3.889 (2) Å]。
