Information card for entry 2007867

Structure parameters

• Chemical name: 4,4'-Sulfonyldiphenol‒2,2'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.n1c(cccc1)c1ncccc1
• Title of publication: Pairwise-Interlocked Chains in 4,4'-Sulfonyldiphenol‒2,2'-Bipyridyl (1/1)
• Authors of publication: Lavender, Emma S.; Glidewell, Christopher; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1639 - 1642
• a: 8.468 ± 0.0007 Å
• b: 11.0388 ± 0.0009 Å
• c: 21.743 ± 0.0017 Å
• α: 90°
• β: 97.897 ± 0.006°
• γ: 90°
• Cell volume: 2013.2 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No