STRUCTURE OF 4(5)-NITROIMIDAZOLE AT 100-K

被引：22

作者：

DEBONDT, HL ^{[1
]}

RAGIA, E ^{[1
]}

BLATON, NM ^{[1
]}

PEETERS, OM ^{[1
]}

DERANTER, CJ ^{[1
]}

机构：

[1] CATHOLIC UNIV LEUVEN,INST FARMACEUT WETENSCHAPPEN,ANALYT CHEM & MED FYSICOCHEM LAB,B-3000 LOUVAIN,BELGIUM

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1993年 / 49卷

关键词：

D O I：

10.1107/S0108270192011326

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

4(5)-Nitroimidazole, C3H3N3O2, M(r) = 113.08, monoclinic, P2(1)/n, a = 6.9559 (4), b = 9.9130 (6), c = 7.3045(4) angstrom, beta = 119.41(4)degrees, V= 438.8 (4) angstrom3, Z = 4, D(m)(293 K) = 1.64, D(x) = 1.7117 Mg m-3, lambda(Mo Kalpha) = 0.71069 angstrom, mu = 0.1367 mm-1, F(000) = 232, T = 100 K. Final R = 0.024 for 633 unique observed [F greater-than-or-equal-to 4sigma(F)] reflections. The molecules are planar and are stacked in planes almost parallel to the bc plane. These molecular layers are built up by three hydrogen bonds. 4-5-tautomerism is discussed.

引用

页码：693 / 695

页数：3

共 24 条

[1] TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].