Information card for entry 2010835

Structure parameters

• Chemical name: N,N'-bis-(2-tosylaminobenzylidene)benzene-1,2-diamine
• Formula: C34 H30 N4 O4 S2
• Calculated formula: C34 H30 N4 O4 S2
• SMILES: S(=O)(=O)(Nc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(cc1)C)c1ccc(C)cc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-tosylaminobenzylidene)benzene-1,2-diamine
• Authors of publication: Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 492 - 493
• a: 9.704 ± 0.002 Å
• b: 19.102 ± 0.004 Å
• c: 17.407 ± 0.004 Å
• α: 90°
• β: 103.85 ± 0.02°
• γ: 90°
• Cell volume: 3132.8 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes