Information card for entry 2226445

Structure parameters

• Chemical name: (2<i>E</i>)-2-[2-(4-Chlorophenyl)hydrazin-1-ylidene]-4,4,4-trifluoro- 3-oxobutanal
• Formula: C10 H6 Cl F3 N2 O2
• Calculated formula: C10 H6 Cl F3 N2 O2
• SMILES: O=CC(=N\Nc1ccc(cc1)Cl)/C(=O)C(F)(F)F
• Title of publication: (2<i>E</i>)-2-[2-(4-Chlorophenyl)hydrazin-1-ylidene]-4,4,4-trifluoro-3-oxobutanal
• Authors of publication: Huo, Yan-Ping; Zhou, Li-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1654
• a: 7.644 ± 0.0004 Å
• b: 7.7139 ± 0.0004 Å
• c: 19.4221 ± 0.001 Å
• α: 86.134 ± 0.001°
• β: 81.706 ± 0.001°
• γ: 88.999 ± 0.001°
• Cell volume: 1130.63 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes