Information card for entry 8105785

Structure parameters

• Formula: C6 H9 F3 N2 O0
• Calculated formula: C6 H9 F3 N2
• Title of publication: Crystal structure of 4,4-dimethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole, C6H9F3N2
• Authors of publication: Said, A. Musa; Warad, Ismail; Alzahrani, O. Seraj; Zarrouk, Abdelkader; Lentz, Dieter
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 579 - 580
• a: 10.6224 ± 0.0009 Å
• b: 11.8639 ± 0.0009 Å
• c: 13.3139 ± 0.0011 Å
• α: 90°
• β: 105.903 ± 0.003°
• γ: 90°
• Cell volume: 1613.6 ± 0.2 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No