STRUCTURE OF 4-NITROIMIDAZOLE

被引:20
作者
SEGALAS, I [1 ]
POITRAS, J [1 ]
BEAUCHAMP, AL [1 ]
机构
[1] UNIV MONTREAL,DEPT CHIM,CP 6128,SUCC A,MONTREAL H3C 3J7,QUEBEC,CANADA
关键词
D O I
10.1107/S0108270191008065
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
C3H3N3O2, M(r) = 113.08, monoclinic, P2(1)/c, a = 7.093 (1), b = 9.926 (1), c = 7.3474 (9) angstrom, beta = 119.02 (1)-degrees, V = 452.3 (1) angstrom 3, Z = 4, D(m) (293 K) = 1.63, D(x) = 1.66 Mg m-3, lambda(Cu K-alphaBAR) = 1.54178 angstrom, mu = 1.18 mm-1, F(000) = 232, T = 293 K, final R = 0.048 for 702 unique observed reflections. Planar molecules of the 4-nitro tautomer (nitro group alpha to unprotonated N) are connected into ribbons along the b direction by N-H...N hydrogen bonds.
引用
收藏
页码:295 / 298
页数:4
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