Information card for entry 2208701

Structure parameters

• Formula: C14 H11 Cl N2 O3
• Calculated formula: C14 H11 Cl N2 O3
• SMILES: Clc1ccc(O)c(c1)C=NNC(=O)c1c(O)cccc1
• Title of publication: 5-Chlorosalicylaldehyde salicylhydrazone
• Authors of publication: De-Suo Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1591 - o1592
• a: 18.873 ± 0.002 Å
• b: 5.391 ± 0.001 Å
• c: 12.851 ± 0.003 Å
• α: 90°
• β: 99.474 ± 0.004°
• γ: 90°
• Cell volume: 1289.7 ± 0.4 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: 0.1524
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes