The title compound, C 29 H 27 NO 7 , has a non-planar con®guration. The methoxycarbonylmethyl group exhibits an E con®guration. The crystal structure is stabilized by intermolecular OÐHÁ Á ÁO and CÐHÁ Á ÁO contacts.
3-Chloromethyl-5-methoxy-4-methoxycarbonyl-3-oxo-2,3-dihydro-[1,3]oxaphosphole monohydrate
✍ Scribed by Ciptadi, Ciptadi ;Cristau, Henri Jean ;Bekro, Yves Alain ;Tillard, Monique ;Virieux, David
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 255 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound crystallizes as a monohydrate, C 7 H 10 PO 5 ClÁH 2 O. In the crystal structure, two symmetryrelated oxaphosphole molecules are linked through hydrogen bonds with the water molecule of crystallization.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 183 K Mean '(C±C) = 0.002 A Ê Disorder in main residue R factor = 0.049 wR factor = 0.144 Data-to-parameter ratio = 16.2 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 = 183 K Mean '(C±C) = 0.005 A Ê R factor = 0.026 wR factor = 0.063 Data-to-parameter ratio = 15.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 14 H 13 NO 5 , the C atom between the benzene and oxazolone rings displays a distorted trigonal bonding geometry. The oxazolone and aromatic rings are approximately coplanar.