Information card for entry 7242687

Structure parameters

• Common name: Clotam, Tolfedine,2-[(3-Chloro-2-methylphenyl)amino]benzoic Acid
• Chemical name: tolfenamic acid
• Formula: C14 H12 Cl N O2
• Calculated formula: C14 H12 Cl N O2
• SMILES: Clc1cccc(Nc2c(C(=O)O)cccc2)c1C
• Title of publication: The unexpected discovery of the ninth polymorph of tolfenamic acid
• Authors of publication: Sacchi, Pietro; Reutzel-Edens, Susan M.; Cruz-Cabeza, Aurora J.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 3636 - 3647
• a: 10.5841 ± 0.0011 Å
• b: 7.8503 ± 0.0006 Å
• c: 14.9718 ± 0.0013 Å
• α: 90°
• β: 101.399 ± 0.009°
• γ: 90°
• Cell volume: 1219.44 ± 0.19 ų
• Cell temperature: 293.3 ± 0.7 K
• Ambient diffraction temperature: 293.3 ± 0.7 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: 0.1288
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No