Information card for entry 7240805

Structure parameters

• Formula: C17 H17 Cl2 N3 O3
• Calculated formula: C17 H17 Cl2 N3 O3
• Title of publication: Synthesis and solid-state characterization of diclofenac imidazolium monohydrate: an imidazolium pharmaceutical ionic liquid
• Authors of publication: da Silva, Cecilia; Owoyemi, Bolaji Charles Dayo; Alvarenga-Jr, Benedito R.; Alvarez, Natalia; Ellena, Javier A.; Carneiro, Renato Lajarim
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 18.9975 ± 0.0009 Å
• b: 9.0067 ± 0.0004 Å
• c: 10.9126 ± 0.0006 Å
• α: 90°
• β: 106.275 ± 0.002°
• γ: 90°
• Cell volume: 1792.38 ± 0.15 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0739
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No