高等学校化学学报

高等学校化学学报 ›› 1993, Vol. 14 ›› Issue (3): 349.

• 研究论文 • 上一篇    下一篇

新磺酰脲类化合物的合成、结构及构效关系研究(Ⅱ)——N-[2-(4-甲基)嘧啶基]-2-甲酸乙酯-苯磺酰脲的晶体及分子结构

李正名1, 贾国锋1, 王玲秀1, 赖城明2, 王宏根3, 王如骥3   

  1. 1. 南开大学元素有机化学国家重点实验室、元素有机化学研究所, 天津 300071;
    2. 南开大学化学系;
    3. 南开大学中心实验室
  • 收稿日期:1992-06-18 修回日期:1992-11-18 出版日期:1993-03-24 发布日期:1993-03-24
  • 通讯作者: 赖城明
  • 基金资助:

    国家自然科学基金

Syntheses, Structure and SAR Study on Sulfonylurea Compounds( Ⅱ )——Crystal and Molecular Structure of N-[2-(4-methyl)pyrimdinyl]-2-ethyl carboxylate-benzene sulfonyiurea

LI Zheng-Ming1, JIA Guo-Feng1, WANG Ling-Xiu1, LAI Cheng-Ming2, WANG Hong-Gen3, WANG Ru-Ji3   

  1. 1. National Key Laboratory of Elemento-Organic Chemistry, Elemento-Orgmtic Chemstry Institute, Nankai University, Tianjin, 300071;
    2. Department of Chemistry, Nankai University;
    3. Central Laboratory of Nankai University
  • Received:1992-06-18 Revised:1992-11-18 Online:1993-03-24 Published:1993-03-24

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摘要： 本文报道了标题化合物的合成和晶体结构.该晶体由标题分子与溶剂分子CH2Cl2组成,属三斜晶系,空间群为P1晶胞参数a=0.7413(2) nm, b=0.9166(5) nm, c=1.6289(5) nm, a=75.97(4)0,β=82. 28(2)0,y=76. 22(3)°, V=1. 039 nm3, Z=2.晶体结构由直接法解出,进行全矩阵最小二乘法修正,R=0.067.标题分子中存在3个独立的平面共轭体系,还存在N、H原子间的分子内及分子间氢键.

关键词: 磺酰脲类化合物, 晶体结构, 分子结构

Abstract: Synthesis and crystal structure of title molecule was reported here.This crystal consists of title molecules with solvent molecules CH2C12. It is triclinic, belonging to space group P1 with unit cell parameter a=0.7413(2) nm, 6=0.9166(5) nm, c= 1.6289(5) nm, α=75.97(4)°, β=82.28 (2)° γ=76.22(3)° V=l.039 nm3, Z=2, R=0.067 for 1914 reflections.Molecular structure was discussed.There are three different planes in the molecule, in each of which a conjugated system was formed.The intra-molecule and inter-molecule hydrogen bonds between atoms Nand Hhave been found.

Key words: Sulfonylurea compounds, Crystal structure, Molecular structure

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