Information card for entry 2222774

Structure parameters

• Chemical name: <i>N</i>-[2-(6-Methyl-4-oxo-4<i>H</i>-chromen-3-yl)-4-oxothiazolidin- 3-yl]furan-2-carboxamide <i>N</i>,<i>N</i>-dimethylformamide solvate
• Formula: C21 H21 N3 O6 S
• Calculated formula: C21 H21 N3 O6 S
• SMILES: Cc1ccc2c(c1)c(=O)c(co2)C1N(C(=O)CS1)NC(=O)c1ccco1.CN(C)C=O
• Title of publication: <i>N</i>-[2-(6-Methyl-4-oxo-4<i>H</i>-chromen-3-yl)-4-oxothiazolidin-3-yl]furan-2-carboxamide <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Zhao, Pei-Liang; Zhou, Zhong-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2030 - o2031
• a: 8.4141 ± 0.0001 Å
• b: 11.5676 ± 0.0014 Å
• c: 11.8382 ± 0.0014 Å
• α: 87.138 ± 0.001°
• β: 70.503 ± 0.002°
• γ: 78.419 ± 0.002°
• Cell volume: 1063.86 ± 0.18 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes