Information card for entry 7245211

Structure parameters

• Formula: C16 H11 Cl F N O3
• Calculated formula: C16 H11 Cl F N O3
• SMILES: Clc1ccc2N(CCOc3ccc(F)cc3)C(=O)C(=O)c2c1
• Title of publication: Phenoxy pendant isatins as potent α-glucosidase inhibitors: reciprocal carbonyl⋯carbonyl interactions, antiparallel π⋯π stacking driven solid state self-assembly and biological evaluation
• Authors of publication: Mehreen, Saba; Zia, Mehwash; Khan, Ajmal; Hussain, Javid; Ullah, Saeed; Anwar, Muhammad U.; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 32
• Pages of publication: 20919 - 20928
• a: 8.324 ± 0.01 Å
• b: 8.326 ± 0.01 Å
• c: 12.233 ± 0.016 Å
• α: 92.36 ± 0.05°
• β: 106.63 ± 0.04°
• γ: 116.57 ± 0.04°
• Cell volume: 712.3 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0979
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No