Information card for entry 2206616

Structure parameters

• Chemical name: 2-Morpholino-N-(p-tolylsulfonyl)ethylamine
• Formula: C13 H20 N2 O3 S
• Calculated formula: C13 H20 N2 O3 S
• SMILES: S(=O)(=O)(NCCN1CCOCC1)c1ccc(cc1)C
• Title of publication: 2-Morpholino-<i>N</i>-(<i>p</i>-tolylsulfonyl)ethylamine
• Authors of publication: Akbal, Tufan; Akdemir, Nesuhi; Ağar, Erbil; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2826 - o2827
• a: 13.7639 ± 0.0014 Å
• b: 8.0723 ± 0.0007 Å
• c: 14.1519 ± 0.0015 Å
• α: 90°
• β: 109.028 ± 0.008°
• γ: 90°
• Cell volume: 1486.5 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes