Information card for entry 2236879

Structure parameters

• Chemical name: Bis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propyl}ammonium chloride
• Formula: C20 H26 Cl N3 O2
• Calculated formula: C20 H26 Cl N3 O2
• SMILES: c1(ccccc1/C=N/CCC[NH2+]CCC/N=C/c1c(cccc1)O)O.[Cl-]
• Title of publication: Bis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propyl}ammonium chloride
• Authors of publication: AlDamen, Murad A.; Haddad, Salim F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3314
• a: 4.9848 ± 0.0003 Å
• b: 38.714 ± 0.002 Å
• c: 10.3299 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1993.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes