G. Chauvière, J. Jaud, J. Rameau
1995
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0
Influential Citations
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Journal
Zeitschrift Fur Kristallographie
Abstract
Reaction of 2,4-dibromo-1-methyl-5-nitro-imidazole 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 (C 5 H 6 BrN 3 O 3 ) crystallizes in the monoclinic system, space group P2 1 /c, a = 13.433(5) A, b = 9.065(2) A, c = 14.027(5) A, β = 103.99(2)°, Z = 8. The 4-bromo-2-cyano-1-methyl-5-nitroimidazole 3 (C 5 H 3 BrN 4 O 2 ) crystallizes in the monoclinic system, space group P2 1 , a = 9.705(9) A, b = 6.328(2) A, c = 25.809(9) A, β = 95.44(4)°, Z = 8. Structures found by molecular mechanics are in good agreement with the solid state geometries