2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan-2-one monohydrate
✍ Scribed by Samas, Brian ;Groendyke, Todd ;Blackburn, Anthony C ;Godrej, Delara B
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 169 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C~11~H~15~O~4~P·H~2~O, commonly called (S)-phencyphos monohydrate, belongs to a class of phosphorinanes. Molecules form a hydrogen-bond network of corrugated ribbons.
📜 SIMILAR VOLUMES
In the crystal structure of the title compound, C 18 H 21 N 2 O 3 P, molecules form chains of rings via C-HÁ Á ÁO and N-HÁ Á ÁO hydrogen bonds.
Single-crystal X-ray study T = 292 K Mean (C-C) = 0.006 A R factor = 0.054 wR factor = 0.112 Data-to-parameter ratio = 17.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C~26~H~36~N~2~O~6~P~2~, possesses a crystallographically imposed inversion centre. The molecules are linked into a one-dimensional structure along the __c__ axis by a centrosymmetric system of weak C—H...O hydrogen bonds.
In the crystal structure of the title compound, C 19 H 19 N 3 O 3 , the benzene ring substituted by hydroxy and methoxy groups is essentially coplanar with the pyrazoline ring [dihedral angle = 12.9 (2) ], whereas the phenyl ring bonded directly to the pyrazoline ring forms a dihedral angle of 50.4