(6,6-二甲基-1-苯基-6,7-二氢-5H-吡咯并[2,1-b]吡嗪-2-基)(噻吩-2-基)甲酮
(6,6-Dimethyl-1-phenyl-6,7-di-hydro-5H-pyrrolizin-2-yl)(thio-phen-2-yl)methanone.
作者信息
Liu Yu-Min, Zhong Jia-Liang, Sun Wen-Xia, Zhang Fu-Li, Liu He
机构信息
College of Chemical and Pharmaceutical Engineering, Hebei University of Science and Technology, Shijiazhuan 050016, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 7;69(Pt 10):o1513. doi: 10.1107/S1600536813023489. eCollection 2013.
In the title compound, C20H19NOS, the pyrrolizine ring is essentially planar (r.m.s. deviation = 0.001 Å) while the fused dihydro-pyrrolizine ring adopts an envelope comformation with the C atom bearing the methyl substituents as the flap. The dihedral angles between the pyrrolizine and the phenyl and thio-phene rings are 34.54 (7) and 44.93 (7)°, respectively. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into infinite zigzag chains parallel to the b-axis direction.
在标题化合物C₂₀H₁₉NOS中，吡咯嗪环基本呈平面状（均方根偏差 = 0.001 Å），而稠合的二氢吡咯嗪环采取信封式构象，带有甲基取代基的C原子作为折边。吡咯嗪环与苯环和噻吩环之间的二面角分别为34.54（7）°和44.93（7）°。在晶体中，弱的C—H⋯O氢键将分子连接成平行于b轴方向的无限之字形链。
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