Information card for entry 2312112

Structure parameters

• Common name: <i>N</i>-[(4-Fluorophenyl)sulfanyl]phthalimide
• Chemical name: 2-[(4-Fluorophenyl)sulfanyl]isoindole-1,3-dione
• Formula: C14 H8 F N O2 S
• Calculated formula: C14 H8 F N O2 S
• Title of publication: Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide.
• Authors of publication: Çakmak, Şukriye; Aycan, Tuğba; Yakan, Hasan; Veyisoğlu, Aysel; Tanak, Hasan; Evecen, Meryem
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 249 - 256
• a: 7.5224 ± 0.0018 Å
• b: 8.4415 ± 0.0018 Å
• c: 10.82 ± 0.003 Å
• α: 91.437 ± 0.009°
• β: 104.157 ± 0.01°
• γ: 112.754 ± 0.008°
• Cell volume: 608.8 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes