Information card for entry 2210387

Structure parameters

• Chemical name: N,N'-Bis(5-chloro-2-hydroxybenzylidene)ethane-1,2-diamine
• Formula: C16 H14 Cl2 N2 O2
• Calculated formula: C16 H14 Cl2 N2 O2
• SMILES: Oc1ccc(cc1/C=N/CC/N=C/c1cc(Cl)ccc1O)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(5-chloro-2-hydroxybenzylidene)ethane-1,2-diamine
• Authors of publication: Zhang, Xin-Li; Li, Zong-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4012 - o4013
• a: 17.79 ± 0.003 Å
• b: 7.253 ± 0.006 Å
• c: 6.137 ± 0.005 Å
• α: 90°
• β: 92.653 ± 0.007°
• γ: 90°
• Cell volume: 791 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2055
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes