Information card for entry 1512574

Structure parameters

• Chemical name: 8-methyl-2-phenylquinoxaline
• Formula: C15 H12 N2
• Calculated formula: C15 H12 N2
• SMILES: n1c2c(cccc2ncc1c1ccccc1)C
• Title of publication: A Simple and Straightforward Approach to Quinoxalines by Iron/Sulfur-Catalyzed Redox Condensation ofo-Nitroanilines and Phenethylamines
• Authors of publication: Nguyen, Thanh Binh; Retailleau, Pascal; Al-Mourabit, Ali
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 5238
• a: 4.485 ± 0.001 Å
• b: 19.949 ± 0.002 Å
• c: 12.972 ± 0.001 Å
• α: 90°
• β: 95.19 ± 0.006°
• γ: 90°
• Cell volume: 1155.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1178
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No