Syntheses, Structure and SAR Study on Sulfonylurea Compounds(Ⅴ)─Crystal and Molecular Structure of N-[2-(4-Ethyl)triazinyl]-2-nitrobenzene Sulfonylurea

Chem. J. Chinese Universities ›› 1997, Vol. 18 ›› Issue (5): 750.

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Syntheses, Structure and SAR Study on Sulfonylurea Compounds(Ⅴ)─Crystal and Molecular Structure of N-[2-(4-Ethyl)triazinyl]-2-nitrobenzene Sulfonylurea

LI Zheng-Ming¹, LIU Jie¹, WANG Xia², YUAN Man-Xue², LAI Cheng-Ming²

1. National Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin, 300071;
2. Department of Chemistry, Nankai University, Tianjin, 300071

Received:1996-05-07 Online:1997-05-24 Published:1997-05-24

Abstract

Abstract: Synthesis and crystal structure of the title molecule was reported here.The crystal is monoclinic, belonging to space group P2₁/n, with unit cell parameters a = 0.7861 (3)_nm, b=0.5809(2) nm, c=3.2729(6) nm, β=93.25°, V=1.492(1) nm³, D_x=1.568 g/cm³, μ=2.441 cm^-1, F(00 0) =728 for 1084 reflections.R=0.046, R_w=0.046.Molecular structure was discussed.There are three different planes in the molecule, with a conjugated system in each.The conformation difference between this molecule and other sulfonylure a molecule which has a different bioactivity was compared.

Key words: Sulfonylurea compounds, Crystal structure, Molecular structure

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LI Zheng-Ming, LIU Jie, WANG Xia, YUAN Man-Xue, LAI Cheng-Ming. Syntheses, Structure and SAR Study on Sulfonylurea Compounds(Ⅴ)─Crystal and Molecular Structure of N-[2-(4-Ethyl)triazinyl]-2-nitrobenzene Sulfonylurea[J]. Chem. J. Chinese Universities, 1997, 18(5): 750.

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Syntheses, Structure and SAR Study on Sulfonylurea Compounds(Ⅴ)─Crystal and Molecular Structure of N-[2-(4-Ethyl)triazinyl]-2-nitrobenzene Sulfonylurea

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