Information card for entry 1572415

Structure parameters

• Common name: indomethacin
• Chemical name: [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
• Formula: C19 H16 Cl N O4
• Calculated formula: C19 H16 Cl N O4
• Title of publication: From formulation to structure: 3D electron diffraction for the structure solution of a new indomethacin polymorph from an amorphous solid dispersion.
• Authors of publication: Leung, Helen W.; Copley, Royston C. B.; Lampronti, Giulio I.; Day, Sarah J.; Saunders, Lucy K.; Johnstone, Duncan N.; Midgley, Paul A.
• Journal of publication: IUCrJ
• Year of publication: 2024
• Journal volume: 11
• Journal issue: 5
• a: 43.7 ± 0.12 Å
• b: 5.19 ± 0.07 Å
• c: 33.43 ± 0.07 Å
• α: 90°
• β: 100.73 ± 0.09°
• γ: 90°
• Cell volume: 7449 ± 10 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3254
• Residual factor for significantly intense reflections: 0.2822
• Weighted residual factors for significantly intense reflections: 0.6107
• Weighted residual factors for all reflections included in the refinement: 0.6347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.0197 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No