Information card for entry 2233100

Structure parameters

• Chemical name: (<i>Z</i>)-3-(4-Chlorophenyl)-2-{[<i>N</i>-(2-formylphenyl)-4- methylbenzenesulfonamido]methyl}prop-2-enenitrile
• Formula: C24 H19 Cl N2 O3 S
• Calculated formula: C24 H19 Cl N2 O3 S
• SMILES: c1(C)ccc(cc1)S(=O)(=O)N(c1ccccc1C=O)C/C(=C/c1ccc(cc1)Cl)C#N
• Title of publication: (<i>Z</i>)-3-(4-Chlorophenyl)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}prop-2-enenitrile
• Authors of publication: Madhanraj, R.; Murugavel, S.; Kannan, D.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o56 - o57
• a: 8.9795 ± 0.0005 Å
• b: 10.159 ± 0.0005 Å
• c: 25.105 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2290.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes