Information card for entry 2002973

Structure parameters

• Chemical name: 4,4'-Sulphonyldiphenol - trans-1,2-bis(4-pyridyl)ethylene (1/1)
• Formula: C24 H20 N2 O4 S
• Calculated formula: C24 H20 N2 O4 S
• SMILES: n1ccc(cc1)/C=C/c1ccncc1.Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O
• 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: 7.3981 ± 0.0008 Å
• b: 12.7472 ± 0.0015 Å
• c: 13.0006 ± 0.0013 Å
• α: 115.037 ± 0.008°
• β: 102.398 ± 0.01°
• γ: 94.239 ± 0.01°
• Cell volume: 1065.9 ± 0.2 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes