Information card for entry 7228138

Structure parameters

• Formula: C20 H17 Cl3 N2 O4
• Calculated formula: C20 H17 Cl3 N2 O4
• SMILES: Clc1ccc(C(=O)NC(Cc2cc(=O)[nH]c3c2cccc3)C(=O)O)cc1.ClCCl
• Title of publication: Solvates and polymorphs of rebamipide: preparation, characterization, and physicochemical analysis
• Authors of publication: Xiong, Xinnuo; Du, Qiaohong; Zeng, Xia; He, Jiawei; Yang, Hongqin; Li, Hui
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 38
• Pages of publication: 23279
• a: 14.3285 ± 0.0016 Å
• b: 9.7542 ± 0.0004 Å
• c: 21.475 ± 0.002 Å
• α: 90°
• β: 136.08 ± 0.02°
• γ: 90°
• Cell volume: 2081.9 ± 0.8 ų
• Cell temperature: 142.95 ± 0.1 K
• Ambient diffraction temperature: 142.95 ± 0.1 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
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No