CRYSTAL-STRUCTURE OF 4-BROMO-2-METHOXY-1-METHYL-5-NITROIMIDAZOLE AND 4-BROMO-2-CYANO-1-METHYL-5-NITROIMIDAZOLE PREPARED BY NUCLEOPHILIC-SUBSTITUTION FROM 2,4-DIBROMO-1-METHYL-5-NITROIMIDAZOLE

被引：5

作者：

CHAUVIERE, G

JAUD, J

RAMEAU, JP

机构：

[1] CTR ELABORAT MAT & ETUDES STRUCT,CNRS,OPT ELECTR LAB,F-31055 TOULON,FRANCE

[2] UNIV TOULOUSE 3,CNRS,URA 470,CHIM ORGAN BIOL GRP,F-31062 TOULOUSE,FRANCE

来源：

ZEITSCHRIFT FUR KRISTALLOGRAPHIE | 1995年 / 210卷 / 03期

关键词：

CRYSTALLINE STRUCTURE; SUBSTITUTED-NITROIMIDAZOLES; MOLECULAR MECHANICS; NUCLEOPHILIC SUBSTITUTION;

D O I：

10.1524/zkri.1995.210.3.202

中图分类号：

O7 [晶体学];

学科分类号：

0702 [物理学]; 070205 [凝聚态物理]; 0703 [化学]; 080501 [材料物理与化学];

摘要：

Reaction of 2,4-dibromo-1-methyl-5-nitroimidazole 1 with sodium methoxide in methanol or with potassium cyanide in DMSO implies univocal nucleophilic substitution of 2-bromine atom by methoxy or cyano group as revealed by the crystalline structures of 4-bromo-2-methoxy-1-methyl-5-nitroimidazole 2 and 4-bromo-2-cyano-1-methyl-5-nitroimidazole 3. Compound 2 (C5H6BrN3O3) crystallizes in the monoclinic system, space group P2(1)/c, a = 13.433(5) Angstrom, b = 9.065(2) Angstrom, c = 14.027(5) Angstrom, beta = 103.99(2)degrees, Z = 8. The 4-bromo-2-cyano-1-methyl-5-nitroimidazole 3 (C5H3BrN4O2) crystallizes in the monoclinic system, space group P2(1), a = 9.705(9) Angstrom, b = 6.328(2) Angstrom, c = 25.809(9) Angstrom, beta = 95.44(4)degrees, Z = 8. Structures found by molecular mechanics are in good agreement with the solid state geometries.

引用

页码：202 / 205

页数：4