Information card for entry 2239314

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-1-(2-Fluorophenyl)ethylidene]pyridine-4-carbohydrazide
• Formula: C14 H12 F N3 O
• Calculated formula: C14 H12 F N3 O
• SMILES: O=C(c1ccncc1)N/N=C(/c1ccccc1F)C
• Title of publication: <i>N</i>'-[(<i>E</i>)-1-(2-Fluorophenyl)ethylidene]pyridine-4-carbohydrazide
• Authors of publication: Sreeja, P. B.; Sithambaresan, M.; Aiswarya, N.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o532 - o533
• a: 8.2649 ± 0.0006 Å
• b: 19.2127 ± 0.0014 Å
• c: 8.0554 ± 0.0005 Å
• α: 90°
• β: 99.244 ± 0.003°
• γ: 90°
• Cell volume: 1262.51 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes