Information card for entry 2223246

Structure parameters

• Chemical name: 5,6-Diphenylpyrazine-2,3-dicarbonitrile
• Formula: C18 H10 N4
• Calculated formula: C18 H10 N4
• SMILES: n1c(c2ccccc2)c(nc(c1C#N)C#N)c1ccccc1
• Title of publication: 5,6-Diphenylpyrazine-2,3-dicarbonitrile
• Authors of publication: Hökelek, Tuncer; Yalçın, Ergin; Seferoğlu, Zeynel; Şahin, Ertan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2225
• a: 9.2195 ± 0.0002 Å
• b: 7.2837 ± 0.0002 Å
• c: 21.5507 ± 0.0005 Å
• α: 90°
• β: 101.108 ± 0.001°
• γ: 90°
• Cell volume: 1420.06 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• 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: 0.1051
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes