Information card for entry 2221362

Structure parameters

• Chemical name: (<i>E</i>)-6-Chloro-<i>N'</i>-(3,5-dichloro-2- hydroxybenzylidene)nicotinohydrazide
• Formula: C13 H8 Cl3 N3 O2
• Calculated formula: C13 H8 Cl3 N3 O2
• SMILES: Clc1c(O)c(cc(Cl)c1)/C=N/NC(=O)c1ccc(Cl)nc1
• Title of publication: (<i>E</i>)-6-Chloro-<i>N</i>'-(3,5-dichloro-2-hydroxybenzylidene)nicotinohydrazide
• Authors of publication: Ren, Chun-yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o678
• a: 4.892 ± 0.001 Å
• b: 18.014 ± 0.004 Å
• c: 16.112 ± 0.003 Å
• α: 90°
• β: 97.9 ± 0.03°
• γ: 90°
• Cell volume: 1406.4 ± 0.5 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: 0.116
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes