Information card for entry 4518392

Structure parameters

• Chemical name: (2,2'-bipyridine)-6,6'-dicarbonitrile
• Formula: C12 H6 N4
• Calculated formula: C12 H6 N4
• Title of publication: Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile
• Authors of publication: Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam
• Journal of publication: Crystal Growth and Design
• Year of publication: 2017
• Journal volume: 17
• Pages of publication: 5242 - 5248
• a: 3.8118 ± 0.0004 Å
• b: 10.0388 ± 0.0009 Å
• c: 12.9838 ± 0.0012 Å
• α: 90°
• β: 91.328 ± 0.007°
• γ: 90°
• Cell volume: 496.7 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes