Information card for entry 2221211

Structure parameters

• Common name: dihydropyrazine
• Chemical name: 2-Methyl-3,5,6-triphenyl-2,3-dihydropyrazine
• Formula: C23 H20 N2
• Calculated formula: C23 H20 N2
• SMILES: N1=C(C(=N[C@H]([C@@H]1C)c1ccccc1)c1ccccc1)c1ccccc1.N1=C(C(=N[C@@H]([C@H]1C)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2-Methyl-3,5,6-triphenyl-2,3-dihydropyrazine
• Authors of publication: Anuradha, N.; Thiruvalluvar, A.; Pandiarajan, K.; Chitra, S.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o546
• a: 10.4406 ± 0.001 Å
• b: 10.5753 ± 0.0007 Å
• c: 11.081 ± 0.0013 Å
• α: 93.439 ± 0.008°
• β: 114.161 ± 0.01°
• γ: 118.343 ± 0.009°
• Cell volume: 931.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.26
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes