Information card for entry 2234908

Structure parameters

• Chemical name: 4-[(<i>E</i>)-({4-[(4-Aminophenyl)sulfonyl]phenyl}imino)methyl]phenol ethanol monosolvate
• Formula: C21 H22 N2 O4 S
• Calculated formula: C21 H22 N2 O4 S
• SMILES: S(=O)(=O)(c1ccc(/N=C/c2ccc(O)cc2)cc1)c1ccc(N)cc1.OCC
• Title of publication: 4-[(<i>E</i>)-({4-[(4-Aminophenyl)sulfonyl]phenyl}imino)methyl]phenol ethanol monosolvate
• Authors of publication: Afzal, Sadaf; Akhter, Zareen; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1789
• a: 8.5281 ± 0.0003 Å
• b: 25.3057 ± 0.0012 Å
• c: 9.4084 ± 0.0004 Å
• α: 90°
• β: 96.738 ± 0.003°
• γ: 90°
• Cell volume: 2016.4 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.104
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes