STRUCTURE OF PYRIDINIUM 1,1,3,3-TETRACYANO-2-AZAPROPENIDE

被引：4
|
作者：
KOZISEK, J [1 ]
DUNAJJURCO, M [1 ]
GROBE, U [1 ]
KOHLER, H [1 ]
机构：
[1] MARTIN LUTHER UNIV, CHEM SECT, O-4010 HALLE, GERMANY
来源：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY | 1990年 / 46卷
关键词：
D O I：
10.1107/S0108270190003894
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
C5H6N+.C6N5-, M(r) = 222.21, monoclinic, P2(1), a = 3.830 (2), b = 14.187 (10), c = 10.454 (5) angstrom, beta = 98.58 (4)-degrees, V = 561.7 (5) angstrom 3, Z = 2, D(m) = 1.32, D(x) = 1.31 Mg m-3, CuK-alpha, lambda = 1.54178 angstrom, mu = 0.64 mm-1, F(000) = 228, room temperature, R = 0.038 for 585 unique reflections with F > 4-sigma-(F). The structure consists of a pyridinium cation and a tetra-cyanoazapropenide anion, which are both planar and make a dihedral angle of 3.8 (6)-degrees. There is a high degree of pi-electron delocalization in the tetra-cyanoazapropenide anion. The structure is stabilized by hydrogen bonds and interionic contacts, with the shortest contacts involving N atoms which do not take part in the conjugation.
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收藏
页码：2422 / 2424
页数：3
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