Information card for entry 4505963

Structure parameters

• Formula: C18 H23 Cl2 N3 O3
• Calculated formula: C18 H23 Cl2 N3 O3
• SMILES: Clc1c(Nc2c(C(=O)[O-])cccc2)c(Cl)c(C)cc1.N1CC[NH2+]CC1.O
• Title of publication: High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid
• Authors of publication: Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2023
• a: 16.137 ± 0.004 Å
• b: 8.4889 ± 0.0015 Å
• c: 15.596 ± 0.003 Å
• α: 90°
• β: 114.94 ± 0.03°
• γ: 90°
• Cell volume: 1937.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1368
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No