Information card for entry 2222084

Structure parameters

• Chemical name: <i>N</i>-Acetyl-<i>N</i>-{2-[(<i>Z</i>)-2-chloro-3,3,3-trifluoroprop-\ 1-enyl]phenyl}acetamide
• Formula: C13 H11 Cl F3 N O2
• Calculated formula: C13 H11 Cl F3 N O2
• SMILES: Cl/C(=C\c1c(N(C(=O)C)C(=O)C)cccc1)C(F)(F)F
• Title of publication: <i>N</i>-Acetyl-<i>N</i>-{2-[(<i>Z</i>)-2-chloro-3,3,3-trifluoroprop-1-enyl]phenyl}acetamide
• Authors of publication: Niu, Jia-Jia; Li, Zhi-Gang; Xu, Jing-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1305
• a: 8.4408 ± 0.0019 Å
• b: 9.385 ± 0.002 Å
• c: 9.455 ± 0.002 Å
• α: 64.599 ± 0.003°
• β: 80.727 ± 0.004°
• γ: 89.756 ± 0.003°
• Cell volume: 666 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1357
• 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: Yes