Information card for entry 2216774

Structure parameters

• Chemical name: 5-Bromo-N'-(2-hydroxybenzylidene)nicotinohydrazide
• Formula: C13 H10 Br N3 O2
• Calculated formula: C13 H10 Br N3 O2
• SMILES: Brc1cc(C(=O)N\N=C\c2c(O)cccc2)cnc1
• Title of publication: 5-Bromo-<i>N</i>'-(2-hydroxybenzylidene)nicotinohydrazide
• Authors of publication: Chun-Bao Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4545 - o4545
• a: 10.94 ± 0.002 Å
• b: 13.673 ± 0.003 Å
• c: 8.69 ± 0.0017 Å
• α: 90°
• β: 92.88 ± 0.03°
• γ: 90°
• Cell volume: 1298.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1165
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes