Information card for entry 1550648

Structure parameters

• Chemical name: (<i>Z</i>)-1-benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile
• Formula: C19 H12 N2 O3
• Calculated formula: C19 H12 N2 O3
• SMILES: O=C(N1/C(C(=O)C(=C1O)C#N)=C\c1ccccc1)c1ccccc1
• Title of publication: (<i>Z</i>)-1-Benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile
• Authors of publication: Onami, Yuika; Siddaraju, Budanur P.; Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Haraguchi, Tomoyuki; Akitsu, Takashiro
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: x190220
• a: 10.432 ± 0.002 Å
• b: 11.297 ± 0.002 Å
• c: 12.688 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1495.3 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes