Information card for entry 2236065

Structure parameters

• Chemical name: <i>N</i>-[2-(Phenylsulfonyl)ethyl]benzylamine
• Formula: C15 H17 N O2 S
• Calculated formula: C15 H17 N O2 S
• SMILES: c1(ccccc1)S(=O)(=O)CCNCc1ccccc1
• Title of publication: <i>N</i>-[2-(Phenylsulfonyl)ethyl]benzylamine
• Authors of publication: Aubry, David A.; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2940
• a: 5.7428 ± 0.0011 Å
• b: 10.17 ± 0.002 Å
• c: 12.486 ± 0.002 Å
• α: 90°
• β: 102.09 ± 0.03°
• γ: 90°
• Cell volume: 713.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Cell measurement pressure: 101.3 kPa
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes