Information card for entry 2022825

Structure parameters

• Chemical name: 4-Cyano-<i>N</i>-[(4-cyanophenyl)sulfonyl]-<i>N</i>-[2-(5-methylfuran-2-yl)phenyl]benzenesulfonamide
• Formula: C25 H17 N3 O5 S2
• Calculated formula: C25 H17 N3 O5 S2
• Title of publication: Crystal structure and Hirshfeld surface analysis of 4-cyano-N-[(4-cyanophenyl)sulfonyl]-N-[2-(5-methylfuran-2-yl)phenyl]benzenesulfonamide
• Authors of publication: Mammadova, Gunay Z.; Yakovleva, Elizaveta D.; Burkin, Gleb M.; Khrustalev, Victor N.; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 8
• a: 7.4542 ± 0.0001 Å
• b: 9.5111 ± 0.0002 Å
• c: 16.4378 ± 0.0003 Å
• α: 88.838 ± 0.004°
• β: 81.644 ± 0.001°
• γ: 81.414 ± 0.001°
• Cell volume: 1140.11 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes