Information card for entry 2220554

Structure parameters

• Common name: <i>N,N'</i>-Bis(5-chloro-2-hydroxybenzylidene)-2,2-dimethyl propane-1,3-diamine
• Chemical name: 4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenol
• Formula: C19 H20 Cl2 N2 O2
• Calculated formula: C19 H20 Cl2 N2 O2
• SMILES: CC(C/N=C/c1cc(Cl)ccc1O)(C/N=C/c1cc(Cl)ccc1O)C
• Title of publication: 4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol
• Authors of publication: Yeap, Chin Sing; Kargar, Hadi; Kia, Reza; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o68 - o69
• a: 31.6843 ± 0.0008 Å
• b: 6.2236 ± 0.0002 Å
• c: 37.9015 ± 0.001 Å
• α: 90°
• β: 99.779 ± 0.001°
• γ: 90°
• Cell volume: 7365.2 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes