Information card for entry 7221583

Structure parameters

• Chemical name: N-(7-trifluoromethyl)-1H-indazol-3-yl)butyramide
• Formula: C12 H12 F3 N3 O
• Calculated formula: C12 H12 F3 N3 O
• Title of publication: Solid Phase Synthesis of Functionalized Indazoles using Triazenes ‒ Scope and Limitations
• Authors of publication: Garcia, Ana Maria; Jung, Nicole; Gil, Carmen; Nieger, Martin; Braese, Stefan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 4.8788 ± 0.0004 Å
• b: 10.1605 ± 0.0006 Å
• c: 12.1307 ± 0.0009 Å
• α: 79.331 ± 0.005°
• β: 81.744 ± 0.007°
• γ: 86.251 ± 0.005°
• Cell volume: 584.35 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1041
• 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: Yes
• Has Fobs: No