Information card for entry 2210922

Structure parameters

• Chemical name: N-allyl-N-(p-tolylsulfonyl)-acrylamide
• Formula: C13 H15 N O3 S
• Calculated formula: C13 H15 N O3 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N(CC=C)C(=O)C=C
• Title of publication: <i>N</i>-Allyl-<i>N</i>-(<i>p</i>-tolylsulfonyl)acrylamide
• Authors of publication: Hu, Yi-Min; Qu, Yuan; Wu, Feng-Hua; Chen, Dong; Zhang, Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4948 - o4949
• a: 19.7925 ± 0.0015 Å
• b: 5.3686 ± 0.0004 Å
• c: 14.5981 ± 0.0011 Å
• α: 90°
• β: 108.937 ± 0.001°
• γ: 90°
• Cell volume: 1467.21 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0814
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes