Information card for entry 2219409

Structure parameters

• Chemical name: 2,2'-Dichloro-1,1'-[(butane-1,4-diyldioxy)bis(nitrilomethylidyne)]dibenzene
• Formula: C18 H18 Cl2 N2 O2
• Calculated formula: C18 H18 Cl2 N2 O2
• SMILES: Clc1ccccc1/C=N/OCCCCO/N=C/c1ccccc1Cl
• Title of publication: 2,2'-Dichloro-1,1'-[(butane-1,4-diyldioxy)bis(nitrilomethylidyne)]dibenzene
• Authors of publication: Ren, Zong-Li; Dong, Wen-Kui; Bai, Wen-Juan; He, Xue-Ni; Wang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1678
• a: 4.5296 ± 0.0005 Å
• b: 6.6231 ± 0.0008 Å
• c: 29.963 ± 0.002 Å
• α: 90°
• β: 92.526 ± 0.002°
• γ: 90°
• Cell volume: 898.02 ± 0.16 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: 0.0837
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes