Information card for entry 1549037

Structure parameters

• Chemical name: 1-Benzyl-3-methyl-quinoxalin-2(1<i>H</i>)-one
• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• SMILES: O=c1n(c2ccccc2nc1C)Cc1ccccc1
• Title of publication: 1-Benzyl-3-methylquinoxalin-2(1<i>H</i>)-one
• Authors of publication: Ramli, Youssef; El Bakri, Youness; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 3
• Pages of publication: x180390
• a: 7.3502 ± 0.0004 Å
• b: 17.3508 ± 0.001 Å
• c: 17.9449 ± 0.001 Å
• α: 118.226 ± 0.001°
• β: 100.042 ± 0.001°
• γ: 92.294 ± 0.001°
• Cell volume: 1965.63 ± 0.19 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: 0.0584
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes