Information card for entry 2231743

Structure parameters

• Chemical name: 2-Oxo-4-phenyl-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3-carbonitrile
• Formula: C20 H14 N2 O
• Calculated formula: C20 H14 N2 O
• SMILES: O=c1[nH]c2c3ccccc3CCc2c(c1C#N)c1ccccc1
• Title of publication: 2-Oxo-4-phenyl-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3-carbonitrile
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Alamry, Khalid A.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2468
• a: 7.4075 ± 0.0005 Å
• b: 9.7204 ± 0.0004 Å
• c: 10.7358 ± 0.0006 Å
• α: 77.001 ± 0.004°
• β: 74.348 ± 0.006°
• γ: 81.674 ± 0.005°
• Cell volume: 722.36 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes