1-Benzyl-2-dimethylamino-3-methyl-3,4,5,6-tetrahydropyrimidin-1-ium bromide

被引：2

作者：

Tiritiris, Ioannis ^{[1
]}

Kantlehner, Willi ^{[2
]}

机构：

[1] Univ Stuttgart, Inst Organ Chem, D-70569 Stuttgart, Germany

[2] Hsch Aalen, Fak Chem Organ Chem, Beethovenstr 1, D-73430 Aalen, Germany

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷

关键词：

data-to-parameter ratio = 21.3; mean σ(C-C) = 0.004 Å; R factor = 0.035; single-crystal X-ray study; T = 293 K; wR factor = 0.089;

D O I：

10.1107/S1600536812029224

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title molecular salt, C14H22N3N+center dot Br-, the ring incorporating the guanidinium grouping exhibits a half-chair conformation and the dihedral angle between the N-C-N and C-C-C planes is 55.0 (3)degrees. The C-N bond lengths in the central CN3 unit are 1.333 (4), 1.338 (3) and 1.341 (4) angstrom, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal-planar geometry and the positive charge is delocalized in the CN3 plane. The distances between the N atom and the terminal methyl C atoms [1.453 (4)-1.461 (4) angstrom] are all close to a typical single C-N bond length.

引用

页码：02308 / +

页数：7

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