Information card for entry 2010696

Structure parameters

• Chemical name: N,N'-bis-(2-tosylaminobenzylidene)-1,2-ethanediamine
• Formula: C30 H30 N4 O4 S2
• Calculated formula: C30 H30 N4 O4 S2
• SMILES: S(=O)(=O)(Nc1ccccc1/C=N/CC/N=C/c1ccccc1NS(=O)(=O)c1ccc(cc1)C)c1ccc(C)cc1
• Title of publication: <i>N,N</i>'-Bis(2-tosylaminobenzylidene)-1,2-ethanediamine
• 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: 3
• Pages of publication: 347 - 348
• a: 8.5144 ± 0.0001 Å
• b: 22.79 ± 0.0003 Å
• c: 29.9046 ± 0.0003 Å
• α: 90°
• β: 96.6 ± 0.001°
• γ: 90°
• Cell volume: 5764.33 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes