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
l-Argininium bis(trifluoroacetate)
✍ Scribed by Silva, Manuela Ramos ;Paixão, José A. ;Beja, Ana Matos
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 327 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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 tri¯uoroacetic acid was added to an aqueous solution of l-arginine. The solution was slightly warmed and left to evaporate at
📜 SIMILAR VOLUMES
The title compound, (C 6 H 15 N 4 O 2 ) 3 ÁCrF 6 Á3H 2 O, is isostructural with the vanadium analogue. One of the argininium cations is partially disordered over two different conformations. A complex network of N-HÁ Á ÁO, N-HÁ Á ÁF, O-HÁ Á ÁO and O-HÁ Á ÁF hydrogen bonds supports the structure.
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.
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.008 A Ê R factor = 0.044 wR factor = 0.133 Data-to-parameter ratio = 13.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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