Information card for entry 1544190

Structure parameters

• Chemical name: 5,6-Bis(pyridin-2-yl)-2,3-dihydropyrazine
• Formula: C14 H12 N4
• Calculated formula: C14 H12 N4
• SMILES: N1=C(C(=NCC1)c1ncccc1)c1ncccc1
• Title of publication: 5,6-Bis(pyridin-2-yl)-2,3-dihydropyrazine
• Authors of publication: Posel, Maciej; Stoeckli-Evans, Helen
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• Pages of publication: x161467
• a: 7.3989 ± 0.0016 Å
• b: 9.6247 ± 0.001 Å
• c: 17.483 ± 0.002 Å
• α: 90°
• β: 91.112 ± 0.013°
• γ: 90°
• Cell volume: 1244.8 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes