Information card for entry 2218860

Structure parameters

• Chemical name: 2'-(3-Bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide methanol solvate
• Formula: C14 H13 Br Cl N3 O3
• Calculated formula: C14 H13 Br Cl N3 O3
• SMILES: Brc1c(O)c(cc(Cl)c1)/C=N/NC(=O)c1ccncc1.OC
• Title of publication: 2'-(3-Bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide methanol solvate
• Authors of publication: Tang, Chun-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1381
• a: 7.531 ± 0.001 Å
• b: 8.735 ± 0.001 Å
• c: 12.13 ± 0.002 Å
• α: 80.853 ± 0.002°
• β: 77.781 ± 0.002°
• γ: 86.721 ± 0.002°
• Cell volume: 769.73 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes