3-(4-氯苯氧基)-4-(2-硝基苯基)氮杂环丁烷-2-酮与一种未知溶剂化物的晶体结构
Crystal structure of 3-(4-chloro-phen-oxy)-4-(2-nitro-phen-yl)azetidin-2-one with an unknown solvate.
作者信息
Çelikesir Sevim Türktekin, Akkurt Mehmet, Jarrahpour Aliasghar, Shafie Habib Allah, Çelik Ömer
机构信息
Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
Department of Chemistry, College of Sciences, Shiraz University, 71454 Shiraz, Iran.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o8-9. doi: 10.1107/S2056989014025845.
In the title compound, C15H11ClN2O4, the central β-lactam ring is approximately planar [maximum deviation = 0.044 (2) Å for the N atom from the mean plane] and subtends dihedral angles of 61.17 (11) and 40.21 (12) °, respectively, with the nitro and chloro-benzene rings. Both substituents lie to the same side of the β-lactam core. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into C(4) chains propagating in [010]. The chains are cross-linked by C-H⋯O and weak C-H⋯π inter-actions, generating a three-dimensional network. The solvent mol-ecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155], which indicated a solvent cavity of volume 318 Å(3) containing approximately 114 electrons. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.
在标题化合物C₁₅H₁₁ClN₂O₄中，中心β-内酰胺环近似平面（N原子与平均平面的最大偏差为0.044 (2) Å），与硝基苯环和氯苯环分别形成61.17 (11)°和40.21 (12)°的二面角。两个取代基位于β-内酰胺核心的同一侧。在晶体中，N—H⋯O氢键将分子连接成沿[010]方向延伸的C(4)链。这些链通过C—H⋯O和弱C—H⋯π相互作用交联，形成三维网络。发现溶剂分子高度无序，使用PLATON中的SQUEEZE程序[Spek (2009 ▶). Acta Cryst. D65, 148 - 155]去除了它们对散射的贡献，这表明存在一个体积为318 ų的溶剂腔，包含约114个电子。在给出的化学式和其他晶体数据中未考虑这些溶剂分子。
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