Information card for entry 2214556

Structure parameters

• Common name: N,N'-Bis(2-hydroxy-3-methoxybenzylidene)1,3-diaminobenzene
• Chemical name: 6,6'-Dimethoxy-2,2'-[m-phenylenebis(nitrilomethylidyne)]diphenol
• Formula: C22 H20 N2 O4
• Calculated formula: C22 H20 N2 O4
• SMILES: O(c1c(O)c(ccc1)/C=N/c1cccc(/N=C/c2cccc(OC)c2O)c1)C
• Title of publication: 6,6'-Dimethoxy-2,2'-[<i>m</i>-phenylenebis(nitrilomethylidyne)]diphenol
• Authors of publication: Mohammed H. Al-Douh; Shafida A. Hamid; Hasnah Osman; Shea-Lin Ng; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3570 - o3571
• a: 19.5677 ± 0.0007 Å
• b: 6.8591 ± 0.0003 Å
• c: 29.3903 ± 0.0011 Å
• α: 90°
• β: 109.131 ± 0.002°
• γ: 90°
• Cell volume: 3726.8 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0779
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes