Powder study of (R)-1-phenylethylammonium (R)-2-phenylbutyrate form 2
✍ Scribed by Fernandes, Philippe ;Florence, Alastair ;Shankland, Kenneth ;Karamertzanis, Panagiotis G. ;Hulme, Ashley T. ;Anandamanoharan, Parathay
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 200 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
The crystal structure of a new polymorph of the title compound, C 8 H 12 N + ÁC 10 H 11 O 2 À , was solved by simulated annealing from laboratory X-ray powder diffraction data, collected at 295 K. Subsequent Rietveld refinement using data collected to 1.54 A ˚resolution yielded an R wp of 0.029. The compound crystallized with one (R)-1-phenylethylammonium cation and one (R)-2-phenylbutyrate anion in the asymmetric unit.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 180 K Mean '(C±C) = 0.003 A Ê R factor = 0.035 wR factor = 0.082 Data-to-parameter ratio = 7.7 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 = 294 K Mean '(C±C) = 0.003 A Ê R factor = 0.038 wR factor = 0.090 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The mechanisms of mass spectrometric fragmentation of eight new compounds, including methyl 5-methyl-2-oxo-3-[2-(4-R-phenyl)-1-ethyl]cyclopentanecarboxylates (Group I, R = substituent) and methyl 2-oxo-5-(4-R-phenyl)-3-propylcyclopentanecarboxylates (Group II, R = substituent), were studied using ma
Single-crystal X-ray study T = 273 K Mean '(C±C) = 0.008 A Ê Disorder in solvent or counterion R factor = 0.040 wR factor = 0.102 Data-to-parameter ratio = 15.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.