Information card for entry 2242459

Structure parameters

• Chemical name: 6,6'-[(1<i>E</i>,1'<i>E</i>)-Oxybis(4,1-phenylene)bis(azanylylidene)bis(methanylylidene)]bis(2-methylphenol)
• Formula: C28 H24 N2 O3
• Calculated formula: C28 H24 N2 O3
• SMILES: O(c1ccc(/N=C/c2c(O)c(ccc2)C)cc1)c1ccc(/N=C/c2cccc(c2O)C)cc1
• Title of publication: 6,6'-[(1<i>E</i>,1'<i>E</i>)-Oxybis(4,1-phenylene)bis(azanylylidene)bis(methanylylidene)]bis(2-methylphenol): supramolecular assemblies in two dimensions mediated by weak C—H···N, C—H···O and C—H···π interactions
• Authors of publication: Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Razali, Mohd. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 687 - 690
• a: 10.2293 ± 0.0004 Å
• b: 10.9623 ± 0.0004 Å
• c: 11.3087 ± 0.0004 Å
• α: 108.557 ± 0.001°
• β: 96.7616 ± 0.001°
• γ: 110.409 ± 0.001°
• Cell volume: 1088.76 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0545
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes