Information card for entry 7244191

Structure parameters

• Formula: C16 H12 F N O3
• Calculated formula: C16 H12 F N O3
• SMILES: O(CCN1c2c(C(=O)C1=O)cccc2)c1ccc(F)cc1
• Title of publication: Synthesis, solid state self-assembly driven by antiparallel π⋯π stacking and {⋯H–C–C–F}2 dimer synthons, and in vitro acetyl cholinesterase inhibition activity of phenoxy pendant isatins
• Authors of publication: Mehreen, Saba; Ullah, Aman; Nadeem, Humaira; Dege, Necmi; Naseer, Muhammad Moazzam
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1788 - 1796
• a: 6.7305 ± 0.0009 Å
• b: 8.917 ± 0.0012 Å
• c: 11.7682 ± 0.0015 Å
• α: 82.956 ± 0.011°
• β: 78.846 ± 0.011°
• γ: 88.804 ± 0.011°
• Cell volume: 687.7 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No