Information card for entry 4506750

Structure parameters

• Common name: Niclosamide-p-aminobenzoic acid
• Chemical name: 2,5-dichloro-4-nitrosalicylanilide,p-aminobenzoic acid ?
• Formula: C20 H15 Cl2 N3 O6
• Calculated formula: C20 H15 Cl2 N3 O6
• SMILES: Clc1c(NC(=O)c2c(O)ccc(Cl)c2)ccc(c1)N(=O)=O.OC(=O)c1ccc(N)cc1
• Title of publication: Pharmaceutical Cocrystals of Niclosamide
• Authors of publication: Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4588
• a: 7.281 ± 0.0014 Å
• b: 12.763 ± 0.002 Å
• c: 12.789 ± 0.002 Å
• α: 62.543 ± 0.017°
• β: 76.384 ± 0.016°
• γ: 74.384 ± 0.015°
• Cell volume: 1007 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No