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Redetermination of ethyl (3a-cis)-3a,8b-dihydroxy-2-methyl-4-oxo-3a,8b-dihydro-4H-indeno[1,2-b]furan-3-carboxylate monohydrate

Authors :
P. S. Pereira Silva
Raza Murad Ghalib
Sayed Hasan Mehdi
Rokiah Hashim
Othman Sulaiman
Source :
Acta Crystallographica Section E, Vol 65, Iss 11, Pp o2616-o2616 (2009)
Publication Year :
2009
Publisher :
International Union of Crystallography, 2009.

Abstract

The crystal structure of the title compound, C15H14O6·H2O, has been redetermined from single-crystal X-ray data. The structure was originally determined by Peet et al. [J. Heterocycl. Chem. (1995), 32, 33–41] but the atomic coordinates were not reported or deposited in the Cambridge Structural Database. The ethyl substituent is disordered over two sites with refined occupancies of 0.815 (6) and 0.185 (6). The indeno group is almost planar [maximum deviation 0.0922 (14) Å] and makes an angle of 68.81 (4)° with the furan ring. The fused ring molecules are assembled in pairs by intermolecular O—H...O hydrogen bonds. The resulting dimers are also hydrogen bonded to the water molecules, forming double-stranded chains running along the a axis.

Subjects

Subjects :
Crystallography
QD901-999

Details

Language :
English
ISSN :
16005368
Volume :
65
Issue :
11
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E
Publication Type :
Academic Journal
Accession number :
edsdoj.9e782a807524086a965cd947516efbb
Document Type :
article
Full Text :
https://doi.org/10.1107/S1600536809039403