Information card for entry 2216171

Structure parameters

• Common name: N,N'-Bis(6-methoxysalicylidene)-1,2-diaminobenzene
• Chemical name: 3,3'-Dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenol
• Formula: C22 H20 N2 O4
• Calculated formula: C22 H20 N2 O4
• SMILES: O(C)c1cccc(O)c1/C=N/c1ccccc1/N=C/c1c(OC)cccc1O
• Title of publication: 3,3'-Dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenol
• Authors of publication: Habibi, Mohammad Hossein; Montazerozohori, Morteza; Mokhtari, Reza; Harrington, Ross W.; Clegg, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4462 - o4462
• a: 8.3766 ± 0.0009 Å
• b: 11.1515 ± 0.0011 Å
• c: 11.2575 ± 0.0012 Å
• α: 101.848 ± 0.001°
• β: 108.359 ± 0.001°
• γ: 107.077 ± 0.001°
• Cell volume: 901.19 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes