Information card for entry 2236325

Structure parameters

• Common name: 2,3-dihydropyrazine
• Chemical name: 2-Methyl-3-(4-methylphenyl)-5,6-diphenyl-2,3-dihydropyrazine
• Formula: C24 H22 N2
• Calculated formula: C24 H22 N2
• SMILES: Cc1ccc(cc1)[C@H]1N=C(c2ccccc2)C(=N[C@@H]1C)c1ccccc1.Cc1ccc(cc1)[C@@H]1N=C(c2ccccc2)C(=N[C@H]1C)c1ccccc1
• Title of publication: 2-Methyl-3-(4-methylphenyl)-5,6-diphenyl-2,3-dihydropyrazine
• Authors of publication: Thiruvalluvar, A.; Anuradha, N.; Chitra, S.; Devanathan, D.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3084
• a: 8.1986 ± 0.0005 Å
• b: 11.8211 ± 0.0006 Å
• c: 19.6686 ± 0.0007 Å
• α: 90°
• β: 93.638 ± 0.004°
• γ: 90°
• Cell volume: 1902.37 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes