Information card for entry 2239566

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-3-Bromo-5-chloro-2-hydroxybenzylidene]furan-2-carbohydrazide
• Formula: C12 H8 Br Cl N2 O3
• Calculated formula: C12 H8 Br Cl N2 O3
• SMILES: Clc1cc(/C=N/NC(=O)c2ccco2)c(c(c1)Br)O
• Title of publication: <i>N</i>'-[(<i>E</i>)-3-Bromo-5-chloro-2-hydroxybenzylidene]furan-2-carbohydrazide
• Authors of publication: Sundar, A.; Ranjith, S.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o670
• a: 16.7237 ± 0.0009 Å
• b: 7.7455 ± 0.0004 Å
• c: 10.1868 ± 0.0005 Å
• α: 90°
• β: 93.557 ± 0.002°
• γ: 90°
• Cell volume: 1316.99 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes