2-(7-氧代-3,5-二苯基-1,4-二氮杂环庚烷-2-基)乙酸乙酯
Ethyl 2-(7-oxo-3,5-diphenyl-1,4-diaze-pan-2-yl)acetate.
作者信息
Jagadeesan G, Sethusankar K, Selvakumar P, Thennarasu S, Mandal A B
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1034. doi: 10.1107/S160053681200757X. Epub 2012 Mar 10.
Abstract
In the title compound, C(21)H(24)N(2)O(3), the diazepane ring adopts a chair conformation. The central diazepane ring forms dihedral angles 67.80 (7) and 72.29 (5)° with the two benzene rings. The eth-oxy-carbonyl group is disordered over two conformations with site-occupancy factors of 0.643 (5) and 0.357 (5). In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(8) loops.
摘要
在标题化合物C₂₁H₂₄N₂O₃中，二氮杂环庚烷环呈椅式构象。中心二氮杂环庚烷环与两个苯环形成的二面角分别为67.80（7）°和72.29（5）°。乙氧羰基在两种构象上无序，占位因子分别为0.643（5）和0.357（5）。在晶体中，通过N—H⋯O氢键对连接的反演二聚体形成R₂²（8）环。
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