Information card for entry 2216258

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2,4-Dichlorobenzylidene)nicotinohydrazide
• Formula: C13 H9 Cl2 N3 O
• Calculated formula: C13 H9 Cl2 N3 O
• SMILES: Clc1c(/C=N/NC(=O)c2cnccc2)ccc(Cl)c1
• Title of publication: (<i>E</i>)-<i>N</i>'-(2,4-Dichlorobenzylidene)nicotinohydrazide
• Authors of publication: Qiu, Xiao-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4524 - o4524
• a: 4.7646 ± 0.0006 Å
• b: 25.075 ± 0.003 Å
• c: 11.942 ± 0.0012 Å
• α: 90°
• β: 111.081 ± 0.004°
• γ: 90°
• Cell volume: 1331.3 ± 0.3 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: 0.0946
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes