Information card for entry 2002972

Structure parameters

• Chemical name: 4,4'-Sulfonyldiphenol-4,4'-bipyridyl (1/1)
• Formula: C22 H18 N2 O4 S
• Calculated formula: C22 H18 N2 O4 S
• SMILES: S(=O)(=O)(c1ccc(O)cc1)c1ccc(O)cc1.n1ccc(cc1)c1ccncc1
• Title of publication: Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1)
• Authors of publication: Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 573 - 590
• a: 7.5765 ± 0.001 Å
• b: 23.9154 ± 0.001 Å
• c: 11.225 ± 0.002 Å
• α: 90°
• β: 105.921 ± 0.01°
• γ: 90°
• Cell volume: 1955.9 ± 0.5 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• 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: 0.0667
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes