Information card for entry 2215886

Structure parameters

• Chemical name: <i>N</i>'-(3,4-Dichlorobenzylidene)isonicotinohydrazide
• Formula: C13 H9 Cl2 N3 O
• Calculated formula: C13 H9 Cl2 N3 O
• SMILES: Clc1cc(ccc1Cl)/C=N/NC(=O)c1ccncc1
• Title of publication: <i>N</i>'-(3,4-Dichlorobenzylidene)isonicotinohydrazide
• Authors of publication: Yin, Zhi-gang; Guo, Shu-ling; Qian, Heng-yu; Feng, Yu-li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4407 - o4407
• a: 8.2208 ± 0.0005 Å
• b: 10.9657 ± 0.0006 Å
• c: 14.5206 ± 0.0008 Å
• α: 90°
• β: 101.881 ± 0.001°
• γ: 90°
• Cell volume: 1280.94 ± 0.13 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: 0.0437
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes