Information card for entry 2009289

Structure parameters

• Chemical name: 2‒Tosylaminobenzaldehyde
• Formula: C14 H13 N O3 S
• Calculated formula: C14 H13 N O3 S
• SMILES: S(=O)(=O)(Nc1ccccc1C=O)c1ccc(C)cc1
• Title of publication: 2-Tosylaminobenzaldehyde
• Authors of publication: Mahía, José; Maestro, Miguel; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2158 - 2160
• a: 13.8993 ± 0.0007 Å
• b: 8.2374 ± 0.0004 Å
• c: 12.0633 ± 0.0006 Å
• α: 90°
• β: 105.843 ± 0.001°
• γ: 90°
• Cell volume: 1328.71 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes