Information card for entry 2224211

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-2,5-Bis(5-chloro-2-methoxyphenyl)-3,4-diazahexa-2,4-diene
• Formula: C18 H18 Cl2 N2 O2
• Calculated formula: C18 H18 Cl2 N2 O2
• SMILES: COc1ccc(cc1/C(=N/N=C(/c1cc(Cl)ccc1OC)C)C)Cl
• Title of publication: (<i>E</i>,<i>E</i>)-2,5-Bis(5-chloro-2-methoxyphenyl)-3,4-diazahexa-2,4-diene
• Authors of publication: Chang, Jian-Guo; Lu, Jie; Zhao, Ren-Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3185
• a: 7.903 ± 0.0019 Å
• b: 27.862 ± 0.007 Å
• c: 3.9819 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 876.8 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes