N-(2-羟乙基)-5-硝基间苯二甲酸一水合物的晶体结构
Crystal structure of N-(2-hy-droxy-eth-yl)-5-nitro-isophthalamic acid monohydrate.
作者信息
Zou Pei, Wang Hong-Yong, Luo Shi-Neng, Liu Ya-Ling, Shen Yong-Jia
机构信息
Institute of Fine Chemicals, East China University of Science and Technology, Shanghai 200237, People's Republic of China.
Jiangsu Institute of Nuclear Medicine, Wuxi 214063, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 29;70(Pt 11):o1205-6. doi: 10.1107/S160053681402337X. eCollection 2014 Nov 1.
In the title compound, C10H10N2O6·H2O, the carb-oxy-lic acid group and the nitro group are essentially coplanar with the benzene ring [maximum deviation = 0.0264 (9) Å], while the amide group is oriented at a dihedral angle of 9.22 (5)° with respect to the benzene ring. In the crystal, classical O-H⋯O and N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions link the organic mol-ecules and water mol-ecules of crystallization into a three-dimensional supra-molecular architecture.
在标题化合物C₁₀H₁₀N₂O₆·H₂O中，羧酸基团和硝基与苯环基本共面[最大偏差 = 0.0264 (9) Å]，而酰胺基团相对于苯环的二面角为9.22 (5)°。在晶体中，典型的O—H⋯O和N—H⋯O氢键以及弱的C—H⋯O相互作用将有机分子和结晶水分子连接成三维超分子结构。
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