Information card for entry 2011780

Structure parameters

• Chemical name: 6,7-dicyano-2,3-di(2-pyridyl) pyrazine
• Formula: C16 H8 N6
• Calculated formula: C16 H8 N6
• SMILES: N#Cc1nc(c(nc1C#N)c1ncccc1)c1ncccc1
• Title of publication: 5,6-Bis(2-pyridyl)-2,3-pyrazinedicarbonitrile
• Authors of publication: Du, Miao; Bu, Xian-He; Liu, He; Leng, Xue-Bing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 201 - 202
• a: 16.996 ± 0.002 Å
• b: 8.1356 ± 0.0011 Å
• c: 20.66 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2856.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes