Information card for entry 2226832

Structure parameters

• Chemical name: 1-Benzyl-<i>N</i>-methyl-1<i>H</i>-pyrrole-2-carboxamide
• Formula: C13 H14 N2 O
• Calculated formula: C13 H14 N2 O
• SMILES: CNC(=O)c1cccn1Cc1ccccc1
• Title of publication: 1-Benzyl-<i>N</i>-methyl-1<i>H</i>-pyrrole-2-carboxamide
• Authors of publication: Zeng, Xiang Chao; Li, Kai Ping; Hu, Fang; Zheng, Le
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2051
• a: 9.8285 ± 0.0018 Å
• b: 23.588 ± 0.004 Å
• c: 9.923 ± 0.0017 Å
• α: 90°
• β: 90.107 ± 0.003°
• γ: 90°
• Cell volume: 2300.5 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes