Single-crystal X-ray study T = 273 K Mean '(C±C) = 0.003 A Ê R factor = 0.045 wR factor = 0.123 Data-to-parameter ratio = 18.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
3-Pentafluorothiopropionic acid
✍ Scribed by Yokochi, Alex F. T. ;Winter, Rolf ;Gard, Gary
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 163 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
Single-crystal X-ray study T = 290 K Mean '(C±C) = 0.008 A Ê R factor = 0.056 wR factor = 0.138 Data-to-parameter ratio = 10.9
For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 120 K Mean '(C±C) = 0.003 A Ê R factor = 0.044 wR factor = 0.116 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.
In the title molecule, C 12 H 14 N 2 O 4 S, the methoxybenzoyl group is trans to the thiono S atom across the C-N bond. The propionic acid group adopts a gauche conformation about the C-C bond, with a C COOH -C-C-N torsion angle of 64.9 (4) . In the crystal structure, intermolecular O-HÁ Á ÁS, N-HÁ
Single-crystal X-ray study T = 230 K Mean '(C±C) = 0.002 A Ê R factor = 0.031 wR factor = 0.083 Data-to-parameter ratio = 11.4 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) = 0.004 A Disorder in main residue R factor = 0.047 wR factor = 0.145 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.