Information card for entry 2014399

Structure parameters

• Chemical name: 2,4-difluorobenzaldehyde benzoylhydrazone
• Formula: C14 H10 F2 N2 O
• Calculated formula: C14 H10 F2 N2 O
• SMILES: c1(c(F)cc(F)cc1)/C=N/NC(=O)c1ccccc1
• Title of publication: 2,4-Difluorobenzaldehyde benzoylhydrazone and 2,4-dichlorobenzaldehyde benzoylhydrazone are isostructural at 120K with <i>Z</i>' = 2: complex sheets built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds
• Authors of publication: Wardell, Solange M. S. V.; de Lima Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o118 - o121
• a: 10.131 ± 0.0003 Å
• b: 17.2172 ± 0.0006 Å
• c: 14.4288 ± 0.0005 Å
• α: 90°
• β: 103.957 ± 0.002°
• γ: 90°
• Cell volume: 2442.48 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes