Information card for entry 2217911

Structure parameters

• Chemical name: 4-(5-Chloro-2-hydroxybenzylideneamino)-N-(4,6-dimethylpyrimidin-2- yl)benzenesulfonamide
• Formula: C19 H17 Cl N4 O3 S
• Calculated formula: C19 H17 Cl N4 O3 S
• SMILES: Clc1cc(c(O)cc1)/C=N/c1ccc(S(=O)(=O)Nc2nc(cc(n2)C)C)cc1
• Title of publication: 4-(5-Chloro-2-hydroxybenzylideneamino)-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
• Authors of publication: Chohan, Zahid H.; Tahir, M. Nawaz; Shad, Hazoor A.; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o648
• a: 11.7332 ± 0.0007 Å
• b: 13.8506 ± 0.0006 Å
• c: 23.6635 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3845.6 ± 0.4 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 significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKαradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes