Information card for entry 2232314

Structure parameters

• Chemical name: 1-allyl-3-phenylquinoxalin-2(1<i>H</i>)-one
• Formula: C17 H14 N2 O
• Calculated formula: C17 H14 N2 O
• SMILES: c1ccccc1c1c(=O)n(c2c(n1)cccc2)CC=C
• Title of publication: 1-Allyl-3-phenylquinoxalin-2(1<i>H</i>)-one
• Authors of publication: Benzeid, Hanane; Bouhfid, Rachid; Massip, Stephane; Leger, Jean Michel; Essassi, El Mokhtar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2990
• a: 15.123 ± 0.002 Å
• b: 7.039 ± 0.001 Å
• c: 26.405 ± 0.003 Å
• α: 90°
• β: 95.25 ± 0.01°
• γ: 90°
• Cell volume: 2799 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes