Information card for entry 4518393

Structure parameters

• Chemical name: (2,2'-bipyridine)-5,5'-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: 3.7577 ± 0.0002 Å
• b: 5.8815 ± 0.0004 Å
• c: 10.9271 ± 0.0007 Å
• α: 94.985 ± 0.004°
• β: 94.575 ± 0.004°
• γ: 94.803 ± 0.004°
• Cell volume: 238.82 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.2921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes