Information card for entry 2224945

Structure parameters

• Chemical name: 1-(2,6-Dichlorobenzoyl)-3-(3-nitrophenyl)thiourea dimethylformamide solvate
• Formula: C17 H16 Cl2 N4 O4 S
• Calculated formula: C17 H16 Cl2 N4 O4 S
• SMILES: S=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cc(N(=O)=O)ccc1.N(C=O)(C)C
• Title of publication: 1-(2,6-Dichlorobenzoyl)-3-(3-nitrophenyl)thiourea dimethylformamide solvate
• Authors of publication: Li, Min; Hou, Dongxiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o280
• a: 8.507 ± 0.005 Å
• b: 10.24 ± 0.005 Å
• c: 12.414 ± 0.008 Å
• α: 70.4 ± 0.04°
• β: 81.74 ± 0.05°
• γ: 87.98 ± 0.04°
• Cell volume: 1008.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes