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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 3-(4-chloro­phen­oxy)-4-(2-nitro­phen­yl)azetidin-2-one with an unknown solvate
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Crystal structure of 3-(4-chloro­phen­oxy)-4-(2-nitro­phen­yl)azetidin-2-one with an unknown solvate

机译:具有未知溶剂化物的3-(4-氯苯氧基)-4-(2-硝基苯基)氮杂环丁烷-2-one的晶体结构

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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 chloro­benzene rings. Both substituents lie to the same side of the β-lactam core. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into C(4) chains propagating in [010]. The chains are cross-linked by C—H⋯O and weak C—H⋯π inter­actions, generating a three-dimensional network. The solvent mol­ecules 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 Å3 containing approximately 114 electrons. These solvent mol­ecules are not considered in the given chemical formula and other crystal data.
机译:在标题化合物C15H11ClN2O4中,中心β-内酰胺环近似为平面[N原子与平均平面的最大偏差= 0.044(2)Å],并且对角为61.17(11)和40.21(12)°,分别带有硝基和氯苯环。两个取代基位于β-内酰胺核的同一侧。在晶体中,NHOH氢键将分子连接成在[010]中传播的C(4)链。链通过CHOH和弱CHOH相互作用而交联,生成三维网络。发现溶剂分子高度无序,并通过PLATON中的SQUEEZE程序除去了它们对散射的作用[Spek(2009)。 Acta Cryst。 [D65,148–155],它表示体积为318Å3的溶剂腔,其中包含约114个电子。在给定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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