Information card for entry 2215260

Structure parameters

• Common name: 5-(4-Acetylamidophenyl)dipyrromethane
• Chemical name: N-[4-(Di-2-pyrrolylmethyl)phenyl]acetamide
• Formula: C17 H17 N3 O
• Calculated formula: C17 H17 N3 O
• SMILES: [nH]1cccc1C(c1[nH]ccc1)c1ccc(cc1)NC(=O)C
• Title of publication: <i>N</i>-[4-(Di-2-pyrrolylmethyl)phenyl]acetamide
• Authors of publication: Senge, Mathias O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3679 - o3679
• a: 7.4007 ± 0.0006 Å
• b: 24.858 ± 0.002 Å
• c: 8.269 ± 0.0007 Å
• α: 90°
• β: 112.49 ± 0.002°
• γ: 90°
• Cell volume: 1405.5 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.087
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes