Information card for entry 2210784

Structure parameters

• Chemical name: 2-(tosylamino)butan-1-ol
• Formula: C11 H17 N O3 S
• Calculated formula: C11 H17 N O3 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)NC(CO)CC
• Title of publication: 2-(Tosylamino)butan-1-ol
• Authors of publication: D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4454 - o4455
• a: 6.4659 ± 0.0004 Å
• b: 7.015 ± 0.0005 Å
• c: 14.2483 ± 0.0009 Å
• α: 101.72 ± 0.001°
• β: 97.962 ± 0.001°
• γ: 99.015 ± 0.001°
• Cell volume: 615.22 ± 0.07 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: 0.0411
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes