2-aminopyrimidin-1-ium trichloroacetate
Document Type
Article
Publication Date
1-1-2002
Abstract
The 2-aminopyrimidin-1-ium trichloroacetate ion-pairs in the title compound, C4H6N3+.C2Cl3O2-, are held together by two N-H...O hydrogen bonds [N-amino...O = 2.733 (5); N-pyrimidinium...O = 2.783 (6) Angstrom], and adjacent ion-pairs are linked into a linear helical chain by a third and substantially weaker N-H...O hydrogen bond [N...O = 3.026 (3) Angstrom]. The calculated structure of the ion-pair geometry, optimized at the PM3 level, shows good agreement with the experimental results.
Publication Title
Acta Crystallographica Section E: Structure Reports Online
ISSN
1600-5368
Recommended Citation
Hu, M.L.; Ng, Seik Weng; Zain, Sharifuddin Md; and Ye, M.D., "2-aminopyrimidin-1-ium trichloroacetate" (2002). Research Publications (2000 to 2005). 382.
https://knova.um.edu.my/research_publications_2000_2005/382
Divisions
CHEMISTRY
Volume
E58
Publisher
International Union of Crystallography
Additional Information
Department of Chemistry, Faculty of Science Building, University of Malaya, 50603 Kuala Lumpur, MALAYSIA