Information card for entry 2212163

Structure parameters

• Chemical name: 6,6'-Dimethyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenol
• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• SMILES: Oc1c(cccc1/C=N/c1ccccc1/N=C/c1cccc(c1O)C)C
• Title of publication: 6,6'-Dimethyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenol
• Authors of publication: Naser Eltaher Eltayeb; Siang Guan Teoh; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Kamarulazizi Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o766 - o767
• a: 10.7922 ± 0.0004 Å
• b: 7.765 ± 0.0003 Å
• c: 23.344 ± 0.0008 Å
• α: 90°
• β: 116.789 ± 0.002°
• γ: 90°
• Cell volume: 1746.3 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.0871
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes