Information card for entry 2235422

Structure parameters

• Chemical name: 6-Bromopyridine-2-carbaldehyde phenylhydrazone
• Formula: C12 H10 Br N3
• Calculated formula: C12 H10 Br N3
• SMILES: Brc1nc(ccc1)/C=N/Nc1ccccc1
• Title of publication: 6-Bromopyridine-2-carbaldehyde phenylhydrazone
• Authors of publication: Moreno-Fuquen, Rodolfo; Chaur, Manuel N.; Romero, Elkin L.; Zuluaga, Fabio; Ellena, Javier
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2131
• a: 14.6418 ± 0.0003 Å
• b: 7.8407 ± 0.0001 Å
• c: 20.0645 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2303.44 ± 0.07 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes