Information card for entry 4505965

Structure parameters

• Formula: C18 H21 Cl2 N3 O2
• Calculated formula: C18 H21 Cl2 N3 O2
• SMILES: Clc1c(Nc2ccccc2C(=O)[O-])c(Cl)c(cc1)C.N1CC[NH2+]CC1
• 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: 7.929 ± 0.003 Å
• b: 8.168 ± 0.003 Å
• c: 28.381 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1838.1 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1536
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No