Information card for entry 2238979

Structure parameters

• Chemical name: 5-Imino-3,4-diphenyl-1<i>H</i>-pyrrol-2-one
• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• SMILES: O=C1NC(=N)C(=C1c1ccccc1)c1ccccc1
• Title of publication: 5-Imino-3,4-diphenyl-1<i>H</i>-pyrrol-2-one
• Authors of publication: Bulatov, Evgeny; Chulkova, Tatiana; Haukka, Matti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o162
• a: 19.687 ± 0.003 Å
• b: 6.3064 ± 0.001 Å
• c: 20.611 ± 0.003 Å
• α: 90°
• β: 97.85 ± 0.003°
• γ: 90°
• Cell volume: 2535 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/n 1
• Hall space group symbol: -C 2yac
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes