CRYSTAL AND ELECTRON-STRUCTURE OF 1,3-BIS[3-(2-HYDROXYIMINOMETHYL-1-METHYLPYRIDYL)OXY]PROPANE

被引：1

作者：

BIDEAU, JP ^{[1
]}

COTRAIT, M ^{[1
]}

SOULIER, J ^{[1
]}

DEMERSEMAN, P ^{[1
]}

机构：

[1] INST CURIE,SERV CHIM,CNRS,URA 1387,F-75231 PARIS 05,FRANCE

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1990年 / 46卷

关键词：

D O I：

10.1107/S0108270190002888

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

C17H22N4O4(2+).2I-.H2O, M(r) = 618.2, monoclinic, P2(1)/n, a = 6.772 (3), b = 13.205 (2), c = 25.805 (4) angstrom, beta = 95.83 (3)-degrees, V = 2296 angstrom 3, Z = 4, D(x) = 1.789 Mg m-3, lambda(Mo K-alpha) = 0.7107 angstrom, graphite monochromator, mu = 28.1 cm-1, F(000) = 1208, T = 298 K, R = 0.058 for the 2114 observed reflections. The title compound is a powerful activator of acetylcholinesterase. The positively charged organic cation envelops one I- anion. CNDO calculations show the perturbation of the molecular orbitals by one of the I- anions. Crystal cohesion depends both on hydrogen bonds and electrostatic interactions.

引用

页码：2379 / 2382

页数：4

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