Information card for entry 1549354

Structure parameters

• Common name: 1-[(Oxiran-2-yl)methyl]-3-phenylquinoxalin-2(1<i>H</i>)-one
• Chemical name: 1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: O=c1n(c2ccccc2nc1c1ccccc1)CC1OC1
• Title of publication: 1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one
• Authors of publication: Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 4
• Pages of publication: x180610
• a: 12.7853 ± 0.0003 Å
• b: 7.0167 ± 0.0002 Å
• c: 15.4215 ± 0.0004 Å
• α: 90°
• β: 95.718 ± 0.001°
• γ: 90°
• Cell volume: 1376.59 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes