Information card for entry 2016175

Structure parameters

• Common name: N,N'-Bis(2-hydroxybenzylidene)pentane-1,5-diamine
• Chemical name: 2,2'-[pentane-1,5-diylbis(nitrilomethylidyne)]diphenol
• Formula: C19 H22 N2 O2
• Calculated formula: C19 H22 N2 O2
• SMILES: c1(O)ccccc1/C=N/CCCCC/N=C/c1c(O)cccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-hydroxybenzylidene)pentane-1,5-diamine
• Authors of publication: Pospieszna-Markiewicz, Izabela; Kozłowski, Michał; Radecka-Paryzek, Wanda; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o559 - o561
• a: 16.3631 ± 0.0018 Å
• b: 5.6428 ± 0.0005 Å
• c: 9.1251 ± 0.0008 Å
• α: 90°
• β: 101.418 ± 0.01°
• γ: 90°
• Cell volume: 825.88 ± 0.14 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes