Information card for entry 2239621

Structure parameters

• Chemical name: 4-{[4-(Dimethylamino)benzylidene]amino}benzenesulfonamide
• Formula: C15 H17 N3 O2 S
• Calculated formula: C15 H17 N3 O2 S
• SMILES: CN(c1ccc(cc1)/C=N/c1ccc(cc1)S(=O)(=O)N)C
• Title of publication: 4-{[4-(Dimethylamino)benzylidene]amino}benzenesulfonamide
• Authors of publication: Durgun, Mustafa; Türkmen, Hasan; Tunç, Tuncay; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o726 - o727
• a: 16.8982 ± 0.0005 Å
• b: 9.0273 ± 0.0003 Å
• c: 9.8405 ± 0.0003 Å
• α: 90°
• β: 101.552 ± 0.003°
• γ: 90°
• Cell volume: 1470.71 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0474
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes