Information card for entry 2206548

Structure parameters

• Chemical name: 5-Chlorosalicylaldehyde benzoylhydrazone
• Formula: C14 H11 Cl N2 O2
• Calculated formula: C14 H11 Cl N2 O2
• SMILES: Clc1ccc(O)c(c1)/C=N/NC(=O)c1ccccc1
• Title of publication: 5-Chlorosalicylaldehyde benzoylhydrazone
• Authors of publication: Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2415 - o2416
• a: 9.496 ± 0.003 Å
• b: 9.895 ± 0.003 Å
• c: 13.619 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1279.7 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes