Information card for entry 2023282

Structure parameters

• Chemical name: 4,4'-Bipyridine–4-nitrophenol (1/2)
• Formula: C22 H18 N4 O6
• Calculated formula: C22 H18 N4 O6
• Title of publication: Crystal structure of a hydrogen-bonded 2:1 co-crystal of 4-nitrophenol and 4,4′-bipyridine
• Authors of publication: Gotingco, Angela; Villanueva Contreras, Merary; Wolfarth, Jeanette A.; Stieber, S. Chantal E.; Marr, Zoe Y.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• a: 12.3711 ± 0.0007 Å
• b: 3.8255 ± 0.0002 Å
• c: 21.4175 ± 0.0012 Å
• α: 90°
• β: 104.195 ± 0.002°
• γ: 90°
• Cell volume: 982.65 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No