Information card for entry 4115393

Structure parameters

• Common name: α-indomethacin
• Chemical name: 1-(4-chlorobenxoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid
• Formula: C19 H16 Cl N O4
• Calculated formula: C19 H16 Cl N O4
• Title of publication: Reactivity Differences of Indomethacin Solid Forms with Ammonia Gas
• Authors of publication: Xiaoming Chen; Kenneth R. Morris; Ulrich J. Griesser; Stephen R. Byrn; Joseph G. Stowell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Journal issue: 50
• Pages of publication: 15012 - 15019
• a: 5.4616 ± 0.0016 Å
• b: 25.31 ± 0.009 Å
• c: 18.152 ± 0.007 Å
• α: 90°
• β: 94.38 ± 0.03°
• γ: 90°
• Cell volume: 2501.9 ± 1.5 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Κα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No