H. Tanak, Ferda Erşahin, E. Ağar, O. Büyükgüngör, M. Yavuz
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引用次数: 8
摘要
通过单晶x射线衍射技术测定了标题化合物C14H12N2O4的晶体结构(图1)。标题化合物在正交空间群Pca21中结晶，其晶胞参数为:a = 18.4391(15) a, b = 4.2710(2) a, c = 32.2187(16) a, V = 2537.3(3)A3。利用2394个独立反射对晶体数据进行求解，最终R = 0.062。不对称单元中有两个分子。标题化合物采用酮胺互变异构形式。在该结构中，存在N-H…O和C-H…O分子内氢键和C-H…O分子间氢键。
Crystal Structure of N-2-Methoxyphenyl-2-oxo-5-nitro-1-benzylidene-methylamine
The crystal structure of the title compound, C14H12N2O4, was determined by a single-crystal X-ray diffraction technique, (Fig. 1). The title compound crystallizes in the orthorhombic space group Pca21 with the following unit-cell parameters: a = 18.4391(15)A, b = 4.2710(2)A, c = 32.2187(16)A and V = 2537.3(3)A3. The crystal data were solved with a final R = 0.062 using 2394 independent reflections. There are two molecules in the asymmetric unit. The title compound adopts the keto-amine tautomeric form. In the structure, there are N-H…O and C-H…O intramolecular hydrogen bonds and C-H…O intermolecular hydrogen bonds.
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