Information card for entry 4506236

Structure parameters

• Common name: phenazopyridine 4-hydroxyphenylacetic acid
• Formula: C19 H19 N5 O3
• Calculated formula: C19 H19 N5 O3
• SMILES: O=C(Cc1ccc(cc1)O)[O-].c1ccc(cc1)/N=N/c1ccc(N)[nH+]c1N
• 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: 13.2789 ± 0.0002 Å
• b: 10.3034 ± 0.0002 Å
• c: 26.0066 ± 0.0004 Å
• α: 90°
• β: 97.728 ± 0.002°
• γ: 90°
• Cell volume: 3525.85 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No