Information card for entry 2223354

Structure parameters

• Chemical name: 6,6'-Dimethoxy-2,2'-[(<i>E</i>,<i>E</i>')-(4-chloro-<i>m</i>- phenylene)bis(nitrilomethylidyne)]diphenol
• Formula: C22 H19 Cl N2 O4
• Calculated formula: C22 H19 Cl N2 O4
• SMILES: O(c1cccc(/C=N/c2cc(/N=C/c3cccc(OC)c3O)ccc2Cl)c1O)C
• Title of publication: 6,6'-Dimethoxy-2,2'-[(<i>E</i>,<i>E</i>')-(4-chloro-<i>m</i>-phenylene)bis(nitrilomethylidyne)]diphenol
• Authors of publication: Yamin, Bohari M.; Bakar, Siti Najihah A.; Kassim, Karimah; Bahron, Hadariah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2573
• a: 9.9 ± 0.002 Å
• b: 6.8589 ± 0.0012 Å
• c: 28.83 ± 0.006 Å
• α: 90°
• β: 94.659 ± 0.004°
• γ: 90°
• Cell volume: 1951.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes