Information card for entry 2220043

Structure parameters

• Chemical name: <i>N</i>'-(4-Bromobenzylidene)isonicotinohydrazide
• Formula: C13 H10 Br N3 O
• Calculated formula: C13 H10 Br N3 O
• SMILES: Brc1ccc(C=NNC(=O)c2ccncc2)cc1
• Title of publication: <i>N</i>'-(4-Bromobenzylidene)isonicotinohydrazide
• Authors of publication: Li, Li-Min; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2320
• a: 18.715 ± 0.009 Å
• b: 6.517 ± 0.003 Å
• c: 10.126 ± 0.005 Å
• α: 90°
• β: 95.512 ± 0.009°
• γ: 90°
• Cell volume: 1229.3 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0944
• 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