Information card for entry 2232097

Structure parameters

• Common name: 2,3-dihydropyrazine
• Chemical name: 2-(2-Chlorophenyl)-3-methyl-5,6-diphenyl-2,3-dihydropyrazine
• Formula: C23 H19 Cl N2
• Calculated formula: C23 H19 Cl N2
• SMILES: Clc1ccccc1[C@H]1N=C(c2ccccc2)C(=N[C@@H]1C)c1ccccc1.Clc1ccccc1[C@@H]1N=C(c2ccccc2)C(=N[C@H]1C)c1ccccc1
• Title of publication: 2-(2-Chlorophenyl)-3-methyl-5,6-diphenyl-2,3-dihydropyrazine
• Authors of publication: Anuradha, N.; Chitra, S.; Thiruvalluvar, A.; Pandiarajan, K.; Butcher, R. J.; Jasinski, J. P.; Golen, J. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2598
• a: 10.5675 ± 0.0008 Å
• b: 19.7014 ± 0.0009 Å
• c: 10.4207 ± 0.0007 Å
• α: 90°
• β: 118.479 ± 0.009°
• γ: 90°
• Cell volume: 1907 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes