Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê Disorder in main residue R factor = 0.044 wR factor = 0.134 Data-to-parameter ratio = 9.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e. ## Experimental An excess of
l-Argininium trifluoroacetate
✍ Scribed by Suresh, J. ;Krishnakumar, R. V. ;Natarajan, S.
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 245 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
In the title compound, C~6~H~16~N~4~O~2~
^+^·C~2~F~3~O~2~
^−^, the amino acid exists as a zwitterionic argininium cation, with positively charged amino and guanidinium groups and a negatively charged carboxylate group. The trifluoroacetic acid molecule is deprotonated. The stoichiometry between the argininium ion and the trifluoroacetate anion is 1:1. The aggregation of argininium cations and trifluoroacetate anions is strikingly similar to those observed in the 1:2 stoichiometric analogue.
📜 SIMILAR VOLUMES
Á2NO 3 À , the diprotonated argininium molecule is linked by a strong OÐHÁ Á ÁO [2.653 (7) A Ê ] hydrogen bond to the nitrate anion. The singlebonded O atom of the carboxyl group exhibits a very unusual cis conformation with respect to the -amino N atom. Chelated three-centered hydrogen bonds are ob
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.044 wR factor = 0.132 Data-to-parameter ratio = 7.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.