Information card for entry 2218818

Structure parameters

• Chemical name: 3-Bromo-<i>N</i>'-[(E)-4-hydroxybenzylidene]benzohydrazide
• Formula: C14 H11 Br N2 O2
• Calculated formula: C14 H11 Br N2 O2
• SMILES: Brc1cc(C(=O)N\N=C\c2ccc(O)cc2)ccc1
• Title of publication: 3-Bromo-<i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]benzohydrazide
• Authors of publication: Yang, Tao; Cao, Guo-Biao; Xiang, Ji-Ming; Zhang, Li-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1186
• a: 7.5576 ± 0.0011 Å
• b: 11.7337 ± 0.0018 Å
• c: 15.021 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1332 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes