Information card for entry 2239117

Structure parameters

• Chemical name: <i>N</i>-(2-Chloro-5-nitrophenyl)-<i>N</i>'-(3-chloropropionyl)thiourea
• Formula: C10 H9 Cl2 N3 O3 S
• Calculated formula: C10 H9 Cl2 N3 O3 S
• SMILES: ClCCC(=O)NC(=S)Nc1cc(N(=O)=O)ccc1Cl
• Title of publication: <i>N</i>-(2-Chloro-5-nitrophenyl)-<i>N</i>'-(3-chloropropionyl)thiourea
• Authors of publication: Yamin, Bohari M.; Soh, Siti K. C.; Yusoff, Siti Fairus M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o34
• a: 21.764 ± 0.006 Å
• b: 5.2284 ± 0.0013 Å
• c: 24.134 ± 0.006 Å
• α: 90°
• β: 106.388 ± 0.008°
• γ: 90°
• Cell volume: 2634.7 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes