Information card for entry 4506753

Structure parameters

• Common name: Niclosamide-urea
• Chemical name: 2,5-dichloro-4-nitrosalicylanilide, urea ?
• Formula: C14 H12 Cl2 N4 O5
• Calculated formula: C14 H12 Cl2 N4 O5
• SMILES: Clc1ccc(O)c(c1)C(=O)Nc1c(Cl)cc(N(=O)=O)cc1.O=C(N)N
• 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: 11.1272 ± 0.001 Å
• b: 16.9312 ± 0.0014 Å
• c: 8.5708 ± 0.0007 Å
• α: 90°
• β: 93.312 ± 0.001°
• γ: 90°
• Cell volume: 1612 ± 0.2 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: 0.0334
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No