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Solvates of zafirlukast.
- Source :
- Acta Crystallographica: Section C (Wiley-Blackwell); Dec2004, Vol. 60 Issue 12, po843-o846, 4p, 2 Charts
- Publication Year :
- 2004
-
Abstract
- The crystal structures of three solvates of zafirlukast [systematic name: cyclopentyl N-{1-methyl-3-[2-methyl-4-(o-tolylsul-fonylaminocarbonyl)benzyl]-1H-indol-5-yl}carbamate], viz. the monohydrate, C<subscript>31</subscript>H<subscript>33</subscript>N3O<subscript>6</subscript>S·H<subscript>2</subscript>O, (I), the methanol solvate, C<subscript>31</subscript>H<subscript>33</subscript>N<subscript>3</subscript>O<subscript>6</subscript>S·CH<subscript>3</subscript>OH, (II), and the ethanol solvate, C<subscript>31</subscript>H<subscript>33</subscript>N<subscript>3</subscript>O<subscript>6</subscript>S·C<subscript>2</subscript>H<subscript>5</subscript>OH, (III), have been determined by single-crystal X-ray diffraction analysis. All three compounds crystallize in the monoclinic crystal system. Zafirlukast adopts a similar Z-shaped conformation in all three solvates. The r methanol and ethanol solvates are isostructural. The packing of the zafirlukast molecules in all three crystal structures is similar and is expressed by hydrogen-bonded molecules that are related by translation, along (101) in (I) and along the b axis in (II) and (III). The methanol and ethanol solvent molecules are hydrogen bonded to two molecules of zafirlukast. The water molecule, on the other hand, acts as a connector via hydrogen bonds between three molecules of zafirlukast. The solvent molecules are not released at temperatures below the melting points of the solvates. [ABSTRACT FROM AUTHOR]
- Subjects :
- MOLECULES
ALCOHOL
METHANOL
TEMPERATURE
HYDROGEN bonding
X-ray diffraction
Subjects
Details
- Language :
- English
- ISSN :
- 01082701
- Volume :
- 60
- Issue :
- 12
- Database :
- Complementary Index
- Journal :
- Acta Crystallographica: Section C (Wiley-Blackwell)
- Publication Type :
- Academic Journal
- Accession number :
- 15677810
- Full Text :
- https://doi.org/10.1107/S0108270104024771