Information card for entry 7059255

Structure parameters

• Common name: indomethacin L-proline
• Chemical name: 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid L-proline
• Formula: C24 H27 Cl N2 O7
• Calculated formula: C24 H27 Cl N2 O7
• Title of publication: The first zwitterionic cocrystal of indomethacin with amino acid showing optimized physicochemical properties as well as accelerated absorption and slowed elimination in vivo
• Authors of publication: Wang, Ling-Yang; Yu, Yue-Ming; Jiang, Fu-Bin; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 3930 - 3939
• a: 12.424 ± 0.0005 Å
• b: 5.7358 ± 0.0002 Å
• c: 16.382 ± 0.0006 Å
• α: 90°
• β: 101.436 ± 0.004°
• γ: 90°
• Cell volume: 1144.23 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No