2-aminopyrimidin-1-ium trichloroacetate

Hu, M.L. and Ng, Seik Weng and Zain, Sharifuddin Md and Ye, M.D. (2002) 2-aminopyrimidin-1-ium trichloroacetate. Acta Crystallographica Section E: Structure Reports Online, E58. O1005-O1007. ISSN 1600-5368, DOI https://doi.org/10.1107/s160053680201471x.

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Official URL: https://doi.org/10.1107/S160053680201471X


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.

Item Type: Article
Additional Information: Department of Chemistry, Faculty of Science Building, University of Malaya, 50603 Kuala Lumpur, MALAYSIA
Subjects: Q Science > Q Science (General)
Q Science > QD Chemistry
Divisions: Faculty of Science > Department of Chemistry
Depositing User: Miss Malisa Diana
Date Deposited: 22 Apr 2013 01:27
Last Modified: 22 Oct 2018 01:54
URI: http://eprints.um.edu.my/id/eprint/5842

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