2-[(Z)-3-氯苄叉基]-7-甲基-3-氧代-5-苯基-2,3-二氢-5H-1,3-噻唑并[3,2-a]嘧啶-6-羧酸乙酯
Ethyl 2-[(Z)-3-chloro-benzyl-idene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.
作者信息
Jotani Mukesh M, Baldaniya Bharat B
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Mar 29;64(Pt 4):o739. doi: 10.1107/S1600536808007356.
Abstract
In the title compound, C(23)H(19)ClN(2)O(3)S, the central pyrimidine ring is significantly puckered, assuming almost a screw boat conformation. In addition to the usual inter-molecular C-H⋯O hydrogen bonding, short intra-molecular C-H⋯S contacts and π-π stacking inter-actions [centroid-centroid distance = 3.762 (2) Å] contribute to the crystal packing.
摘要
在标题化合物C₂₃H₁₉ClN₂O₃S中，中心嘧啶环明显呈褶皱状，几乎呈螺旋船构象。除了常见的分子间C—H⋯O氢键外，短的分子内C—H⋯S接触和π-π堆积相互作用[质心-质心距离 = 3.762 (2) Å]有助于晶体堆积。
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