Information card for entry 2216043

Structure parameters

• Chemical name: N-Phenyl-2-(phenyliminomethyl)pyrrole-1-carboxamide
• Formula: C18 H15 N3 O
• Calculated formula: C18 H15 N3 O
• SMILES: O=C(n1cccc1/C=N/c1ccccc1)Nc1ccccc1
• Title of publication: <i>N</i>-Phenyl-2-(phenyliminomethyl)pyrrole-1-carboxamide
• Authors of publication: Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4265 - o4265
• a: 18.292 ± 0.002 Å
• b: 19.966 ± 0.002 Å
• c: 7.8479 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2866.2 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes