Information card for entry 2008565

Structure parameters

• Chemical name: 4-Methoxybenzaldehyde-(pentafluorophenylmethylidene)hydrazone
• Formula: C15 H9 F5 N2 O
• Calculated formula: C15 H9 F5 N2 O
• SMILES: COc1ccc(cc1)/C=N/N=C/c1c(F)c(F)c(c(c1F)F)F
• Title of publication: 4-Methoxybenzaldehyde pentafluorophenylmethylidenehydrazone
• Authors of publication: Lewis, Michael; Barnes, Charles L.; Hathaway, Bruce A.; Glaser, Rainer
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 975 - 978
• a: 6.8822 ± 0.0008 Å
• b: 8.9557 ± 0.001 Å
• c: 11.0364 ± 0.0012 Å
• α: 98.765 ± 0.002°
• β: 92.365 ± 0.002°
• γ: 98.66 ± 0.002°
• Cell volume: 663.18 ± 0.13 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No