Information card for entry 7211065

Structure parameters

• Common name: phenazopyridine
• Formula: C18 H19 N5 O4
• Calculated formula: C18 H19 N5 O4
• SMILES: [nH+]1c(c(/N=N/c2ccccc2)ccc1N)N.O=C([O-])c1c(O)cccc1.O
• Title of publication: Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid
• Authors of publication: Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 39
• Pages of publication: 7852
• a: 26.8924 ± 0.0007 Å
• b: 5.1332 ± 0.0001 Å
• c: 13.0371 ± 0.0004 Å
• α: 90°
• β: 100.854 ± 0.003°
• γ: 90°
• Cell volume: 1767.5 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No