Information card for entry 2020688

Structure parameters

• Common name: Sulfamethazine pyridine monosolvate
• Chemical name: 4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate
• Formula: C18 H21 N5 O2 S
• Calculated formula: C18 H21 N5 O2 S
• SMILES: S(=O)(=O)(Nc1nc(cc(n1)C)C)c1ccc(N)cc1.c1(cnccc1)C
• Title of publication: Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine
• Authors of publication: Patel, Urmila H.; Purohit, Ketankumar P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 9 - 12
• a: 9.692 ± 0.0002 Å
• b: 25.1673 ± 0.0006 Å
• c: 7.9853 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1947.79 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes