Information card for entry 4506748

Structure parameters

• Common name: Niclosamide
• Chemical name: 2,5-dichloro-4-nitrosalicylanilide ?
• Formula: C13 H8 Cl2 N2 O4
• Calculated formula: C13 H8 Cl2 N2 O4
• SMILES: Clc1c(NC(=O)c2c(O)ccc(Cl)c2)ccc(N(=O)=O)c1
• 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: 13.485 ± 0.002 Å
• b: 7.0669 ± 0.0011 Å
• c: 13.51 ± 0.002 Å
• α: 90°
• β: 98.345 ± 0.002°
• γ: 90°
• Cell volume: 1273.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No