Information card for entry 2230180

Structure parameters

• Chemical name: Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate
• Formula: C17 H14 N4 O7 S
• Calculated formula: C17 H14 N4 O7 S
• Title of publication: Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate
• Authors of publication: Saeed, Sohail; Rashid, Naghmana; Bhatti, Moazzam H.; Wong, Wing-Tak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1114
• a: 11.7264 ± 0.0019 Å
• b: 16.617 ± 0.003 Å
• c: 9.963 ± 0.0016 Å
• α: 90°
• β: 101.522 ± 0.002°
• γ: 90°
• Cell volume: 1902.2 ± 0.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes