Information card for entry 8103080

Structure parameters

• Chemical name: N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide
• Formula: C13 H9 Cl2 N3 O2
• Calculated formula: C13 H9 Cl2 N3 O2
• SMILES: Clc1cc(/C=N/NC(=O)c2ccncc2)c(O)c(Cl)c1
• Title of publication: Crystal structure of N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide, C13H9Cl2N3O2
• Authors of publication: Jun Xu; You-Qin Shu; Ping Hu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 63
• a: 8.0607 ± 0.0001 Å
• b: 10.7551 ± 0.0002 Å
• c: 15.6323 ± 0.0002 Å
• α: 90°
• β: 90.894 ± 0.001°
• γ: 90°
• Cell volume: 1355.06 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No