Information card for entry 2233389

Structure parameters

• Chemical name: Methyl (2<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)- 4-methylbenzenesulfonamido]methyl}-3-(naphthalen-1-yl)prop-2-enoate
• Formula: C29 H25 N O5 S
• Calculated formula: C29 H25 N O5 S
• SMILES: S(=O)(=O)(N(c1ccccc1C=O)C/C(=C\c1c2ccccc2ccc1)C(=O)OC)c1ccc(C)cc1
• Title of publication: Methyl (2<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(naphthalen-1-yl)prop-2-enoate
• 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: 2
• Pages of publication: o330 - o331
• a: 8.0162 ± 0.0003 Å
• b: 12.0887 ± 0.0005 Å
• c: 13.8703 ± 0.0006 Å
• α: 107.788 ± 0.002°
• β: 90.068 ± 0.001°
• γ: 93.446 ± 0.002°
• Cell volume: 1277.27 ± 0.09 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: 0.0634
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes