Syntheses,Structure and SAR Study on Sulfonylurea Compounds(Ⅲ) ──Crystal and Molecular Structure of N-[2'-(4,6-dimethyl)pyrimidinyl]-2-ethyl Carboxylate-benzene Sulfonylurea

Chem. J. Chinese Universities ›› 1994, Vol. 15 ›› Issue (2): 227.

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Syntheses,Structure and SAR Study on Sulfonylurea Compounds(Ⅲ) ──Crystal and Molecular Structure of N-[2'-(4,6-dimethyl)pyrimidinyl]-2-ethyl Carboxylate-benzene Sulfonylurea

LI Zheng-Ming¹, JIA Guo-Feng¹, WANG Ling-Xiu¹, LAI Cheng-Ming²

1. National Key Lab. of Elemento-Organic Chem., Elemento-Organic Chem. Institute, Nankai Univ.;
2. Department of Chemistry, Nankai Universtity, Tianjin, 300071

Received:1993-04-15 Revised:1993-08-08 Online:1994-02-24 Published:1994-02-24

Abstract

Abstract: Here we reported the crystal structure of title molecule.The crystal is monoclinic, belonging to space group P1 with unit cell parameter a=0.9134(2) nm,b=0.9567(4) nm,c=1.2647(3)nm,a=73.88(3)°,β-70.93(2)°,γ=64.05(4)°,V=0.9273 nm³,D_x=1.36g/cm³,μ=1.99 cm^-1, F(000)=396 for 1818 reflections.R=0.063.Molecular structure has been discussed.There are three different planes in the molecule, in each of which a conjugated system was formed.The intra-moleucle hydrogen bond between Nand Hatom has been found.

Key words: Sulfonylurea compounds, Crystal structure, Molecular structure

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LI Zheng-Ming, JIA Guo-Feng, WANG Ling-Xiu, LAI Cheng-Ming. Syntheses,Structure and SAR Study on Sulfonylurea Compounds(Ⅲ) ──Crystal and Molecular Structure of N-[2'-(4,6-dimethyl)pyrimidinyl]-2-ethyl Carboxylate-benzene Sulfonylurea[J]. Chem. J. Chinese Universities, 1994, 15(2): 227.

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Syntheses,Structure and SAR Study on Sulfonylurea Compounds(Ⅲ) ──Crystal and Molecular Structure of N-[2'-(4,6-dimethyl)pyrimidinyl]-2-ethyl Carboxylate-benzene Sulfonylurea

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