Information card for entry 2200470

Structure parameters

• Common name: N-(1-Benzenesulfonyl-4-acetylpyrrol-3-yl)acetamide
• Chemical name: N-(1-Benzenesulfonyl-4-acetylpyrrol-3-yl)acetamide
• Formula: C14 H14 N2 O4 S
• Calculated formula: C14 H14 N2 O4 S
• SMILES: S(=O)(=O)(n1cc(c(NC(=O)C)c1)C(=O)C)c1ccccc1
• Title of publication: <i>N</i>-(1-Benzenesulfonyl-4-acetylpyrrol-3-yl)acetamide
• Authors of publication: Grossie, David A; Ketcha, Daniel; Johyne P. Brooke; Scott A. Jones; Jonathan G. Grieb
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o778 - o780
• a: 8.683 ± 0.003 Å
• b: 15.159 ± 0.006 Å
• c: 11.151 ± 0.003 Å
• α: 90°
• β: 91.06 ± 0.03°
• γ: 90°
• Cell volume: 1467.5 ± 0.9 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: 0.0714
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes