Information card for entry 2200473

Structure parameters

• Chemical name: 2-p-Toluoylquinoxaline
• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• SMILES: c1(cnc2ccccc2n1)C(=O)c1ccc(cc1)C
• Title of publication: 2-<i>p</i>-Toluoylquinoxaline
• Authors of publication: Chowdhury, Krishna; Mukhopadhyay, Rupa; Mukherjee, Monika; Broder, Charlotte K.; Kundu, Nitya G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o794 - o795
• a: 5.5973 ± 0.0002 Å
• b: 18.5701 ± 0.0005 Å
• c: 11.8195 ± 0.0003 Å
• α: 90°
• β: 91.304 ± 0.001°
• γ: 90°
• Cell volume: 1228.23 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes