H. Tanak, Ferda Erşahin, E. Ağar, O. Büyükgüngör, M. Yavuz
{"title":"Crystal Structure of N-2-Methoxyphenyl-2-oxo-5-nitro-1-benzylidene-methylamine","authors":"H. Tanak, Ferda Erşahin, E. Ağar, O. Büyükgüngör, M. Yavuz","doi":"10.2116/ANALSCIX.24.X237","DOIUrl":null,"url":null,"abstract":"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.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"32 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"8","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytical Sciences: X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/ANALSCIX.24.X237","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 8
Abstract
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.
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。