Information card for entry 2216349

Structure parameters

• Chemical name: 4,4'-Dichloro-2,2'-[(1E,1'E)-propane-1,3-diylbis(nitrilomethylidyne)]diphenol
• Formula: C17 H16 Cl2 N2 O2
• Calculated formula: C17 H16 Cl2 N2 O2
• SMILES: c1(cc(c(cc1)O)/C=N/CCC/N=C/c1cc(ccc1O)Cl)Cl
• Title of publication: 4,4'-Dichloro-2,2'-[(1<i>E</i>,1'<i>E</i>)-propane-1,3-diylbis(nitrilomethylidyne)]diphenol
• Authors of publication: Shi, Lei; Xiao, Zhu-Ping; Zhuang, Zhong; Zhong, Zhao-Zhao; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4726 - o4726
• a: 11.2479 ± 0.0018 Å
• b: 8.9729 ± 0.0014 Å
• c: 17.007 ± 0.002 Å
• α: 90°
• β: 96.06 ± 0.03°
• γ: 90°
• Cell volume: 1706.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1658
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes