Information card for entry 2209391

Structure parameters

• Chemical name: (E)-N'-(4-Chlorobenzylidene)-3,6-dichloropicolinohydrazide
• Formula: C13 H8 Cl3 N3 O
• Calculated formula: C13 H8 Cl3 N3 O
• SMILES: Clc1ccc(/C=N/NC(=O)c2nc(Cl)ccc2Cl)cc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-3,6-dichloropicolinohydrazide
• Authors of publication: Zhang, Jie; Ma, Chun-An; Song, Qing-Bao; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2644 - o2645
• a: 6.6081 ± 0.0018 Å
• b: 14.072 ± 0.004 Å
• c: 15.133 ± 0.004 Å
• α: 90°
• β: 92.985 ± 0.006°
• γ: 90°
• Cell volume: 1405.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes