Information card for entry 2005869

Structure parameters

• Chemical name: 1-(4-bromophenyl)-2-fluoroethanone (2,4-dinitrophenyl)hydrazone
• Formula: C14 H10 Br F N4 O4
• Calculated formula: C14 H10 Br F N4 O4
• SMILES: Brc1ccc(cc1)C(=N\Nc1ccc(N(=O)=O)cc1N(=O)=O)\CF
• Title of publication: 1-(4-Bromophenyl)-2-fluoroethanone (2,4-Dinitrophenyl)hydrazone Containing a Particularly Short Fluorine‒Hydrogen Bond
• Authors of publication: Borwick, S. J.; Howard, J. A. K.; Lehmann, C. W.; O'Hagan, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 124 - 126
• a: 13.366 ± 0.001 Å
• b: 7.3869 ± 0.0007 Å
• c: 29.892 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2951.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.0771
• Goodness-of-fit parameter for all reflections: 1.211
• Goodness-of-fit parameter for significantly intense reflections: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No