Information card for entry 2224484

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis[4- (methylsulfonyl)benzylidene]ethane-1,2-diamine
• Formula: C18 H20 N2 O4 S2
• Calculated formula: C18 H20 N2 O4 S2
• SMILES: CS(=O)(=O)c1ccc(cc1)/C=N/CC/N=C/c1ccc(cc1)S(=O)(=O)C
• Title of publication: (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis[4-(methylsulfonyl)benzylidene]ethane-1,2-diamine
• Authors of publication: Qian, Shao-Song; Cui, Hong-You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3093
• a: 7.01 ± 0.0014 Å
• b: 8.053 ± 0.0016 Å
• c: 8.874 ± 0.0018 Å
• α: 88.06 ± 0.03°
• β: 67.56 ± 0.03°
• γ: 87.6 ± 0.03°
• Cell volume: 462.53 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes