Information card for entry 2226589

Structure parameters

• Chemical name: <i>N</i>-[(2<i>S</i>)-2-(4-Bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3- carboxamide
• Formula: C15 H12 Br N3 O2 S
• Calculated formula: C15 H12 Br N3 O2 S
• SMILES: Brc1ccc(cc1)C1SCC(=O)N1NC(=O)c1cccnc1
• Title of publication: <i>N</i>-[(2<i>S</i>)-2-(4-Bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
• Authors of publication: Akkurt, Mehmet; Çelik, Ísmail; Demir, Hale; Özkırımlı, Sumru; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1691 - o1692
• a: 24.9588 ± 0.0009 Å
• b: 24.9588 ± 0.0009 Å
• c: 12.8013 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6906.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes