Bunev Alexander S, Sukhonosova Elena V, Purygin Petr P, Ostapenko Gennady I, Khrustalev Victor N
Department of Chemistry and Chemical Technology, Togliatti State University, 14 Belorusskaya St, Togliatti 445667, Russian Federation.
Department of Organic, Bioorganic and Medicinal Chemistry, Samara State University, 1 Akademician Pavlov St, Samara 443011, Russian Federation.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 17;70(Pt 6):o668. doi: 10.1107/S1600536814010885. eCollection 2014 Jun 1.
The title compound, C15H14N2S, crystallizes with two independent mol-ecules in the asymmetric unit. The central imidazo[2,1-b][1,3]benzo-thia-zole unit is planar (r.m.s. deviations of 0.010 and 0.008 Å for the two independent mol-ecules). The fused tetra-hydro-hexane ring adopts a half-chair conformation. The phenyl substituent is twisted by 16.96 (13) and 22.89 (12)° relative to the central imidazo[2,1-b][1,3]benzo-thia-zole unit in the two mol-ecules. In the crystal, there are no significant intermolecular interactions present.
标题化合物C₁₅H₁₄N₂S在不对称单元中以两个独立分子结晶。中心咪唑并[2,1 - b][1,3]苯并噻唑单元是平面的（两个独立分子的均方根偏差分别为0.010和0.008 Å）。稠合的四氢己烷环呈半椅构象。在两个分子中，苯基取代基相对于中心咪唑并[2,1 - b][1,3]苯并噻唑单元扭转了16.96 (13)°和22.89 (12)°。在晶体中，不存在显著的分子间相互作用。
