Information card for entry 2220491

Structure parameters

• Chemical name: 4-[(5-Bromo-2-hydroxybenzylidene)amino]-<i>N</i>-(4,6-dimethylpyrimidin-2- yl)benzenesulfonamide‒4-bromo-2-[(E)-({4-[(4,6-dimethylpyrimidin-2- yl)sulfamoyl]phenyl}iminio)methyl]phenolate [61(7)/39(7)]
• Formula: C19 H17 Br N4 O3 S
• Calculated formula: C19 H17 Br N4 O3 S
• Title of publication: 4-[(5-Bromo-2-hydroxybenzylidene)amino]-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒4-bromo-2-[(<i>E</i>)-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}iminio)methyl]phenolate [0.61(7)/0.39(7)]
• Authors of publication: Shad, Hazoor A.; Tahir, M. Nawaz; Chohan, Zahid H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o98 - o99
• a: 11.7919 ± 0.0009 Å
• b: 13.9965 ± 0.0008 Å
• c: 23.5117 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3880.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes