Information card for entry 2224032

Structure parameters

• Chemical name: 1-Benzyl-3-phenylquinoxalin-2(1<i>H</i>)-one
• Formula: C21 H16 N2 O
• Calculated formula: C21 H16 N2 O
• SMILES: O=c1n(c2c(nc1c1ccccc1)cccc2)Cc1ccccc1
• Title of publication: 1-Benzyl-3-phenylquinoxalin-2(1<i>H</i>)-one
• Authors of publication: Benzeid, Hanane; Saffon, Nathalie; Garrigues, Bernard; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2685
• a: 5.4776 ± 0.0002 Å
• b: 12.7015 ± 0.0003 Å
• c: 12.7469 ± 0.0004 Å
• α: 62.26 ± 0.002°
• β: 89.963 ± 0.002°
• γ: 87.845 ± 0.002°
• Cell volume: 784.23 ± 0.04 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes