Asiri Abdullah M, Faidallah Hassan M, Alamry Khalid A, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2298. doi: 10.1107/S1600536812029169. Epub 2012 Jun 30.
In the title compound, C(15)H(12)OS, the cyclo-hexene ring has a twisted boat conformation with the C atom between the ketone and methyl-ene atom and this methyl-ene C atom lying 0.280 (3) and 0.760 (3) Å, respectively, from the plane through the remaining four atoms (r.m.s. deviation = 0.004 Å). The dihedral angle between the benzene and thio-phene rings [21.64 (9)°] indicates an overall twist in the mol-ecule. The thio-phene S and ketone O atoms are anti, an orientation that allows the close approach of these atoms [3.3116 (17) Å] in the crystal structure and which leads to the formation of helical supra-molecular chains along the c axis.
在标题化合物C₁₅H₁₂OS中，环己烯环具有扭船式构象，酮基和亚甲基之间的C原子以及该亚甲基C原子分别距离通过其余四个原子的平面0.280（3）Å和0.760（3）Å（均方根偏差 = 0.004 Å）。苯环和噻吩环之间的二面角为[21.64（9）°]，表明分子存在整体扭曲。噻吩的S原子和酮基的O原子呈反式，这种取向使得这些原子在晶体结构中能够紧密靠近[3.3116（17）Å]，并导致沿c轴形成螺旋超分子链。
