Information card for entry 2300125

Structure parameters

• Common name: sulindac
• Chemical name: 2-[6-fluoro-2-methyl-3- [(4-methylsulfinylphenyl)methylidene]inden-1-yl]- acetic acid
• Formula: C20 H17 F O3 S
• Calculated formula: C20 H17 F O3 S
• SMILES: O=S(c1ccc(/C=C2\C(=C(c3cc(ccc23)F)CC(=O)O)C)cc1)C
• Title of publication: A new method for the reproducible generation of polymorphs: two forms of sulindac with very different solubilities
• Authors of publication: Llinàs, Antonio; Box, Karl J.; Burley, Jonathan C.; Glen, Robert C.; Goodman, Jonathan M.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 379 - 381
• a: 12.68581 ± 0.00034 Å
• b: 8.18939 ± 0.0002 Å
• c: 17.7934 ± 0.0005 Å
• α: 90°
• β: 106.011 ± 0.0029°
• γ: 90°
• Cell volume: 1776.83 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.0749
• Goodness-of-fit parameter for all reflections: 1.67
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.78892 Å
• Diffraction radiation type: CoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes