Information card for entry 2222715

Structure parameters

• Chemical name: 2,2'-Dichloro-1,1'-[(pentane-1,5-diyldioxy)bis(nitrilomethylidyne)]dibenzene
• Formula: C19 H20 Cl2 N2 O2
• Calculated formula: C19 H20 Cl2 N2 O2
• SMILES: Clc1c(/C=N/OCCCCCO/N=C/c2c(Cl)cccc2)cccc1
• Title of publication: 2,2'-Dichloro-1,1'-[(pentane-1,5-diyldioxy)bis(nitrilomethylidyne)]dibenzene
• Authors of publication: Dong, Wen-Kui; Tong, Jun-Feng; Wu, Jian-Chao; Li, Li; Yao, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1904
• a: 12.5025 ± 0.0012 Å
• b: 19.7801 ± 0.0017 Å
• c: 7.8085 ± 0.0009 Å
• α: 90°
• β: 96.747 ± 0.001°
• γ: 90°
• Cell volume: 1917.7 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes