Information card for entry 2023553

Structure parameters

• Chemical name: 3-[5-(4-Chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-3-(4-methylphenyl)-1-(thiophen-2-yl)propan-1-one
• Formula: C22 H17 Cl N2 O2 S2
• Calculated formula: C22 H17 Cl N2 O2 S2
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of 3-[5-(4-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-3-(4-methylphenyl)-1-(thiophen-2-yl)propan-1-one
• Authors of publication: Jain, Shailakshi; Kumar, Sharatha; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 10
• a: 20.7798 ± 0.0003 Å
• b: 13.1963 ± 0.0004 Å
• c: 16.1047 ± 0.0004 Å
• α: 90°
• β: 102.44 ± 0.003°
• γ: 90°
• Cell volume: 4312.49 ± 0.19 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No