Information card for entry 4506235

Structure parameters

• Common name: Phenazopyridine Benzoate Monohydrate
• Formula: C18 H19 N5 O3
• Calculated formula: C18 H19 N5 O3
• SMILES: [O-]C(=O)c1ccccc1.O.[nH+]1c(N)c(/N=N/c2ccccc2)ccc1N
• Title of publication: Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability
• Authors of publication: Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3144
• a: 6.1302 ± 0.0004 Å
• b: 24.1397 ± 0.0012 Å
• c: 11.8866 ± 0.0006 Å
• α: 90°
• β: 103.251 ± 0.005°
• γ: 90°
• Cell volume: 1712.16 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1136
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No