首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure and Hirshfeld surface analysis of ethyl (E)-4-(4-hy­droxy-3-meth­oxy-5-nitro­benzyl­idene)amino­benzoate
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Crystal structure and Hirshfeld surface analysis of ethyl (E)-4-(4-hy­droxy-3-meth­oxy-5-nitro­benzyl­idene)amino­benzoate

机译:(E)-4-(4-羟基--3-甲基-氧基-5-硝基苄基亚苄基)氨基 ­苯甲酸乙酯的晶体结构和Hirshfeld表面分析

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摘要

The title Schiff base compound, C17H16N2O6, has an E configuration with respect to the C=N bond, with a dihedral angle between the two benzene rings of 31.90 (12)°. There is an intra­molecular O—H⋯Onitro hydrogen bond present forming an S(6) ring motif. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming inversion dimers enclosing an R 2 2(4) ring motif. The dimers are linked about an inversion centre by pairs of C—H⋯O hydrogen bonds, which enclose R 2 2(22) loops, forming chains propagating along the [10] direction. Hirshfeld surface analysis and fingerprint plots show enrichment ratios for the H⋯H, O⋯H and C⋯H contacts, indicating a high propensity of such inter­actions in the crystal. Both the nitro group and the CH3–CH2–O– group are positionally disordered.
机译:标题席夫碱化合物C17H16N2O6相对于C = N键具有E构型,两个苯环之间的二面角为31.90°(12)°。存在一个分子内OH-H = O硝基氢键,形成一个S(6)环基序。在晶体中,分子通过成对的O-H⋯O氢键连接,形成包围R 2 2 (4)环基序的倒置二聚体。二聚体通过一对成对的C-H⋯O氢键相连,这些氢键包围R 2 2 (22)环,形成沿[10]方向传播的链。 Hirshfeld表面分析和指纹图显示了H⋯H,O⋯H和C⋯H接触的富集比,表明这种相互作用在晶体中的倾向很高。硝基和CH3-CH2-O-基团在位置上都是无序的。

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