CRYSTAL-STRUCTURE OF IMIDAZOLE AT 103-K BY NEUTRON-DIFFRACTION

被引：148

作者：

MCMULLAN, RK

EPSTEIN, J

RUBLE, JR

CRAVEN, BM

机构：

[1] UNIV PITTSBURGH, DEPT CRYSTALLOG, PITTSBURGH, PA 15260 USA

[2] CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS | 1979年 / 35卷 / MAR期

关键词：

D O I：

10.1107/S0567740879004441

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

At 103 K, imidazole, C3H4N2, is monoclinic, space group P21/c, with 4 molecules/unit cell and has lattice parameters a = 7.569 (1), b = 5.366, c = 9.785 (2) .ANG., and .beta. = 119.08 (1).degree.. The neutron structure determination using 1095 reflections gave R(F2) = 0.026 and Rw (F2) = 0.041. The estimated standard deviations in bond lengths (0.001 .ANG. for C-C, C-N) and angles are smaller than in previous X-ray and neutron determinations of this structure. The improved precision was needed in connection with an X-ray study of the charge density of imidazole.

引用

页码：688 / 691

页数：4

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