Information card for entry 2018967

Structure parameters

• Common name: sulfamethazinium picrate
• Chemical name: 2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidinium 2,4,6-trinitrophenolate
• Formula: C18 H17 N7 O9 S
• Calculated formula: C18 H17 N7 O9 S
• Title of publication: Proton-transfer compounds with 4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (sulfamethazine): the structures and hydrogen bonding in the salts with 5-nitrosalicylic acid and picric acid
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 538 - 543
• a: 8.3131 ± 0.0002 Å
• b: 19.2779 ± 0.0005 Å
• c: 13.4483 ± 0.0004 Å
• α: 90°
• β: 99.158 ± 0.003°
• γ: 90°
• Cell volume: 2127.74 ± 0.1 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes