Dimethyl (2-hydroxy-4-nitrobenzyl)phosphonate
✍ Scribed by Li, Xiang ;Lu, Ming ;Li, Chunbao
- Book ID
- 104486205
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 174 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 294 K Mean (C-C) = 0.003 A R factor = 0.040 wR factor = 0.152 Data-to-parameter ratio = 15.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
In the title crystal structure, C 4 H 12 O 7 P 2 SÁH 2 O, the sulfonium groups have a pyramidal geometry and bridging water molecules form a complex three-dimensional hydrogen-bond network involving neighboring phosphonate groups.
Single-crystal X-ray study T = 298 K Mean (C-C) = 0.006 A Disorder in main residue R factor = 0.095 wR factor = 0.243 Data-to-parameter ratio = 12.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The N-containing ring of the tetrahydroisoquinolinium ion of the title compound, C~19~H~24~NO~3~ ^+^·SCN^−^, has a half-chair conformation. There is a network of hydrogen bonds between the phenolic groups and thiocyanate anions.