Information card for entry 2209428

Structure parameters

• Chemical name: (E)-N'-(3-Chlorobenzylidene)isonicotinohydrazide
• Formula: C13 H10 Cl N3 O
• Calculated formula: C13 H10 Cl N3 O
• SMILES: Clc1cc(ccc1)/C=N/NC(=O)c1ccncc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(3-Chlorobenzylidene)isonicotinohydrazide
• Authors of publication: Qiu, Xiao-Yang; Ma, Ji-Long; Liu, Wei-Sheng; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2685 - o2686
• a: 7.6299 ± 0.0003 Å
• b: 11.3388 ± 0.0005 Å
• c: 14.4189 ± 0.0006 Å
• α: 90°
• β: 102.979 ± 0.002°
• γ: 90°
• Cell volume: 1215.57 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes