Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.006 A Ê R factor = 0.039 wR factor = 0.098 Data-to-parameter ratio = 9.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
l-Ornithinium sulfate monohydrate
✍ Scribed by Ravikumar, B. ;Athimoolam, S. ;Rajaram, R. K.
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 259 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title compound, C 5 H 14 N 2 O 2 2+ ÁSO 4 2À ÁH 2 O, the ornithinium cation forms a strong OÐHÁ Á ÁO hydrogen bond with the sulfate anion. One backbone conformation angle is in an eclipsed conformation, while the other two are in a trans±trans staggered conformation. All the amino and carboxylate groups and the sulfate anions are involved in hydrogen bonding. The amino groups are also involved in a threecentred hydrogen bond with the O atoms of the sulfate anion.
📜 SIMILAR VOLUMES
The Raman and infrared absorption spectra of 2(C 5 H 14 N 2 O 2 2+ )•Cl -•NO 3 -•SO 4 2-crystal containing three anions were recorded at room temperature and were interpreted in the light of crystal structure data. The presence of a carbonyl group was identified. The carboxylic group was found to ex
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.032 wR factor = 0.081 Data-to-parameter ratio = 11.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.