Information card for entry 2232007

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)nicotinohydrazide
• Formula: C13 H9 Br Cl N3 O2
• Calculated formula: C13 H9 Br Cl N3 O2
• SMILES: Brc1c(O)c(/C=N/NC(=O)c2cccnc2)cc(Cl)c1
• Title of publication: (<i>E</i>)-<i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)nicotinohydrazide
• Authors of publication: Prabhu, M.; Parthipan, K.; Ramu, A.; Chakkaravarthi, G.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2716
• a: 18.2217 ± 0.0005 Å
• b: 7.4666 ± 0.0002 Å
• c: 23.6916 ± 0.0005 Å
• α: 90°
• β: 122.685 ± 0.001°
• γ: 90°
• Cell volume: 2712.93 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.1018
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes