Information card for entry 7220413

Structure parameters

• Chemical name: N1,N1-dimethyl-N4,2-ditosylbenzene-1,4-diamine
• Formula: C22 H24 N2 O4 S2
• Calculated formula: C22 H24 N2 O4 S2
• SMILES: S(=O)(=O)(Nc1cc(S(=O)(=O)c2ccc(cc2)C)c(N(C)C)cc1)c1ccc(cc1)C
• Title of publication: Electrochemical and chemical synthesis of different types of sulfonamide derivatives of N,N-dimethyl-1,4-benzenediamine using 4-nitroso-N,N-dimethylaniline
• Authors of publication: Khazalpour, Sadegh; Nematollahi, Davood
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 3508
• a: 8.1437 ± 0.0016 Å
• b: 11.826 ± 0.002 Å
• c: 12.4 ± 0.003 Å
• α: 73.31 ± 0.03°
• β: 88.33 ± 0.03°
• γ: 79.7 ± 0.03°
• Cell volume: 1125.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0698
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No