Information card for entry 2236491

Structure parameters

• Chemical name: 1-[Bis(4-fluorophenyl)methyl]piperazine
• Formula: C17 H18 F2 N2
• Calculated formula: C17 H18 F2 N2
• SMILES: C(N1CCNCC1)(c1ccc(F)cc1)c1ccc(F)cc1
• Title of publication: 1-[Bis(4-fluorophenyl)methyl]piperazine
• Authors of publication: Dayananda, A. S.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Ramesha, A. R.; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2817
• a: 12.1574 ± 0.0005 Å
• b: 8.8559 ± 0.0002 Å
• c: 13.8604 ± 0.0004 Å
• α: 90°
• β: 93.355 ± 0.003°
• γ: 90°
• Cell volume: 1489.72 ± 0.08 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes