Information card for entry 2226413

Structure parameters

• Chemical name: 3-Methyl-1-(prop-2-en-1-yl)quinoxalin-2(1<i>H</i>)-one
• Formula: C12 H12 N2 O
• Calculated formula: C12 H12 N2 O
• SMILES: O=c1n(c2c(nc1C)cccc2)CC=C
• Title of publication: 3-Methyl-1-(prop-2-en-1-yl)quinoxalin-2(1<i>H</i>)-one
• Authors of publication: Ramli, Youssef; Slimani, Rachid; Zouihri, Hafid; Lazar, Saïd; Essassi, E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1767
• a: 5.0722 ± 0.0005 Å
• b: 13.4707 ± 0.0013 Å
• c: 15.0507 ± 0.0013 Å
• α: 90°
• β: 95.082 ± 0.005°
• γ: 90°
• Cell volume: 1024.31 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 101 kPa
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes