Information card for entry 2204108

Structure parameters

• 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: N,N'-Bis(5-chlorosalicylidene)ethane-1,2-diamine
• Authors of publication: Kubono, Koji; Kazumasa, Kushida; Yokoi, Kunihiko
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1382 - o1383
• a: 9.379 ± 0.002 Å
• b: 11.655 ± 0.003 Å
• c: 7.322 ± 0.003 Å
• α: 90°
• β: 105.31 ± 0.03°
• γ: 90°
• Cell volume: 772 ± 0.4 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No