Information card for entry 7200997

Structure parameters

• Common name: 4-Phenyl-3,6-Di(2-pyridyl)pyridazine
• Formula: C20 H14 N4
• Calculated formula: C20 H14 N4
• SMILES: c1(ccccc1)c1c(c2ccccn2)nnc(c1)c1ccccn1
• Title of publication: N-Substituted pyridazines as building blocks in novel supramolecular architectures
• Authors of publication: Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1505
• a: 6.164 ± 0.006 Å
• b: 14.713 ± 0.001 Å
• c: 17.365 ± 0.001 Å
• α: 90°
• β: 95.38 ± 0.001°
• γ: 90°
• Cell volume: 1567.9 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No