Information card for entry 2225383

Structure parameters

• Chemical name: (E)-N'-(3,5-Dibromo-2-hydroxybenzylidene)nicotinohydrazide
• Formula: C13 H9 Br2 N3 O2
• Calculated formula: C13 H9 Br2 N3 O2
• SMILES: Brc1c(O)c(cc(Br)c1)/C=N/NC(=O)c1cccnc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(3,5-Dibromo-2-hydroxybenzylidene)nicotinohydrazide
• Authors of publication: Su, Yong-Qing; Li, Cong; Wang, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o670
• a: 17.013 ± 0.004 Å
• b: 8.091 ± 0.002 Å
• c: 10.153 ± 0.003 Å
• α: 90°
• β: 92.194 ± 0.013°
• γ: 90°
• Cell volume: 1396.6 ± 0.6 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: 0.0709
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes