Information card for entry 2214168

Structure parameters

• Common name: (E,E)-1,4-Diethyl-1,4-Di-(5-chloro-2-hydroxyphenyl)-2,3-diazabutadiene
• Chemical name: (<i>E</i>,<i>E</i>)-4,4'-Dichloro-2,2'-(1,1'-azinodiethylene)diphenol
• Formula: C18 H18 Cl2 N2 O2
• Calculated formula: C18 H18 Cl2 N2 O2
• SMILES: CCC(=N\N=C(\c1cc(Cl)ccc1O)CC)/c1cc(Cl)ccc1O
• Title of publication: (<i>E</i>,<i>E</i>)-4,4'-Dichloro-2,2'-(1,1'-azinodiethylene)diphenol
• Authors of publication: Jian-Guo Chang; Dong-Feng Zhao; Guo-Fang He; Ji-Kun Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3297 - o3297
• a: 9.3706 ± 0.0003 Å
• b: 13.9089 ± 0.0004 Å
• c: 6.764 ± 0.0002 Å
• α: 90°
• β: 103.021 ± 0.001°
• γ: 90°
• Cell volume: 858.92 ± 0.04 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes