Information card for entry 2011879

Structure parameters

• Common name: sulfasalazine
• Chemical name: 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]benzoic acid
• Formula: C18 H14 N4 O5 S
• Calculated formula: C18 H14 N4 O5 S
• SMILES: n1c(cccc1)NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O
• Title of publication: Triclinic polymorph of sulfasalazine
• Authors of publication: Filip, Lorena A.; Caira, Mino R.; Fǎrcaş, Sorin I.; Bojiţǎ, Marius T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 435 - 436
• a: 7.017 ± 0.001 Å
• b: 7.307 ± 0.001 Å
• c: 18.091 ± 0.001 Å
• α: 94.673 ± 0.003°
• β: 92.059 ± 0.003°
• γ: 106.633 ± 0.003°
• Cell volume: 884.11 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes