Information card for entry 2018737

Structure parameters

• Chemical name: 3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]- 1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole
• Formula: C17 H10 F5 N5 O2
• Calculated formula: C17 H10 F5 N5 O2
• Title of publication: 3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]-1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole
• Authors of publication: Alvarez Thon, Luis; Bustos, Carlos; Diaz-Marín, Fernando; Garland, Maria Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 101 - 104
• a: 7.4932 ± 0.0008 Å
• b: 10.5834 ± 0.0011 Å
• c: 11.4141 ± 0.0012 Å
• α: 102.69 ± 0.002°
• β: 100.459 ± 0.002°
• γ: 101.986 ± 0.002°
• Cell volume: 838.99 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes