Information card for entry 2228010

Structure parameters

• Common name: GL4-1046
• Chemical name: i>N</i>-(4-Methoxyphenyl)-<i>N</i>'-(5-nitro-1,3-thiazol-2-yl)urea
• Formula: C11 H10 N4 O4 S
• Calculated formula: C11 H10 N4 O4 S
• SMILES: s1c(N(=O)=O)cnc1NC(=O)Nc1ccc(OC)cc1
• Title of publication: <i>N</i>-(4-Methoxyphenyl)-<i>N</i>'-(5-nitro-1,3-thiazol-2-yl)urea
• Authors of publication: Lough, Alan J.; Hicks, Justin W.; Valliant, John F.; Wilson, Alan A.; Vasdev, Neil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2339
• a: 6.874 ± 0.0003 Å
• b: 12.584 ± 0.0007 Å
• c: 14.6861 ± 0.0005 Å
• α: 90°
• β: 101.622 ± 0.003°
• γ: 90°
• Cell volume: 1244.34 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes