Information card for entry 2004356

Structure parameters

• Chemical name: N,N'-bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propandiamine
• Formula: C19 H22 N2 O2
• Calculated formula: C19 H22 N2 O2
• SMILES: Oc1ccccc1/C=N/CC(C)(C)C/N=C/c1ccccc1O
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine
• Authors of publication: Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 125 - 127
• a: 6.16 ± 0.004 Å
• b: 16.172 ± 0.006 Å
• c: 17.307 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1724.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for all reflections: 0.657
• Goodness-of-fit parameter for significantly intense reflections: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No