2-{N-[N-(4-氯-6-甲氧基嘧啶-2-基)氨基甲酰基]氨磺酰基}苯甲酸乙酯
Ethyl 2-{N-[N-(4-chloro-6-methoxy-pyrimidin-2-yl)carbamo-yl]sulfamo-yl}benzoate.
作者信息
Lu Chui, Li Fang-Shi, Yu Da-Sheng, Yao Wei, Liu Yin-Hong
机构信息
Department of Applied Chemistry, College of Science, Nanjing University of Technolgy, No. 5 Xinmofan Road, Nanjing 210009, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 13;64(Pt 7):o1248. doi: 10.1107/S1600536808017029.
The asymmetric unit of the title compound, C(15)H(15)ClN(4)O(6)S, contains two independent mol-ecules, in which the pyrimidine and benzene rings are oriented at dihedral angles of 75.21 (3) and 86.00 (3)°. Intra-molecular N-H⋯N and C-H⋯O hydrogen bonds result in the formation of two five- and two six-membered rings. The six-membered rings have flattened-boat conformations, while the five-membered rings adopt envelope conformations. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules.
标题化合物C(15)H(15)ClN(4)O(6)S的不对称单元包含两个独立分子，其中嘧啶环和苯环的二面角分别为75.21 (3)°和86.00 (3)°。分子内的N-H⋯N和C-H⋯O氢键导致形成两个五元环和两个六元环。六元环具有扁平船式构象，而五元环采用信封式构象。在晶体结构中，分子间的N-H⋯O氢键将分子连接起来。
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