Information card for entry 2243755

Structure parameters

• Chemical name: 3-[(1<i>E</i>)-(4-{4-[(<i>E</i>)-(3-Hydroxybenzylidene)amino]phenoxy}phenylimino)methyl]phenol
• Formula: C26 H20 N2 O3
• Calculated formula: C26 H20 N2 O3
• SMILES: c1(ccc(cc1)/N=C/c1cc(O)ccc1)Oc1ccc(cc1)/N=C/c1cc(O)ccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 3-[(1<i>E</i>)-(4-{4-[(<i>E</i>)-(3-hydroxybenzylidene)amino]phenoxy}phenylimino)methyl]phenol
• Authors of publication: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hawaiz, Farouq E.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 3
• Pages of publication: 266 - 269
• a: 26.8396 ± 0.0006 Å
• b: 5.1174 ± 0.0001 Å
• c: 17.2574 ± 0.0004 Å
• α: 90°
• β: 121.764 ± 0.001°
• γ: 90°
• Cell volume: 2015.27 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes