Information card for entry 2242187

Structure parameters

• Chemical name: <i>N</i>-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide
• Formula: C9 H8 N2 O2 S3
• Calculated formula: C9 H8 N2 O2 S3
• Title of publication: Crystal structure of <i>N</i>-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide
• Authors of publication: Vu Quoc, Trung; Nguyen Ngoc, Linh; Nguyen Tien, Cong; Thang Pham, Chien; Van Meervelt, Luc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 901 - 904
• a: 9.6205 ± 0.0003 Å
• b: 10.8252 ± 0.0003 Å
• c: 11.5073 ± 0.0003 Å
• α: 97.836 ± 0.002°
• β: 102.72 ± 0.002°
• γ: 95.047 ± 0.002°
• Cell volume: 1149.42 ± 0.06 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: 0.0453
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes