Information card for entry 4505959

Structure parameters

• Formula: C19 H17 Cl2 N3 O2
• Calculated formula: C19 H17 Cl2 N3 O2
• SMILES: Clc1c(Nc2c(C(=O)[O-])cccc2)c(Cl)c(cc1)C.[nH+]1ccccc1N
• 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: 14.675 ± 0.004 Å
• b: 7.1318 ± 0.0015 Å
• c: 18.605 ± 0.006 Å
• α: 90°
• β: 110.73 ± 0.03°
• γ: 90°
• Cell volume: 1821.1 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No