2-Aminopyrimidin-1-ium trichloroacetate
✍ Scribed by Hu, Mao-Lin ;Ye, Ming-De ;Zain, Sharifuddin M. ;Ng, Seik Weng
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 171 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.006 A Ê R factor = 0.063 wR factor = 0.185 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The structure of the title compound, C 6 H 21 N 4 3+ Á3C 14 H 10 -Cl 2 NO 2 À Á6H 2 O, comprises the 1:3 organic salt of tris(2ethylamine)amine and diclofenac acid, with an approximated six water molecules in an extensive hydrogen-bonding network. Two water molecules exist as full-occupancy molecule
The cation of the title molecule, C~5~H~5~N~4~ ^+^·Cl^−^, is strictly planar; it occupies a special position on a mirror plane. The protonation of the heterocycle takes place, as expected, at an N atom of the imidazole ring. This H atom is hydrogen bonded to the chloride anion.