Information card for entry 2225480

Structure parameters

• Chemical name: 4-{3-[Hydroxy(phenyl)methyl]-5-thioxo-4,5-dihydro-1<i>H</i>-1,2,4- triazol-4-yl}benzenesulfonamide
• Formula: C15 H14 N4 O3 S2
• Calculated formula: C15 H14 N4 O3 S2
• Title of publication: 4-{3-[Hydroxy(phenyl)methyl]-5-thioxo-4,5-dihydro-1<i>H</i>-1,2,4-triazol-4-yl}benzenesulfonamide
• Authors of publication: Akkurt, Mehmet; Çelik, Ísmail; Cihan, Gökçe; Çapan, Gültaze; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o974 - o975
• a: 8.2498 ± 0.0005 Å
• b: 13.5167 ± 0.0007 Å
• c: 14.2522 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1589.26 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes