Information card for entry 2207385

Structure parameters

• Chemical name: 2-(4,6-Dimethoxypyrimidin-2-ylsulfanyl)-N-phenylbenzamide
• Formula: C19 H17 N3 O3 S
• Calculated formula: C19 H17 N3 O3 S
• SMILES: S(c1nc(OC)cc(OC)n1)c1ccccc1C(=O)Nc1ccccc1
• Title of publication: 2-(4,6-Dimethoxypyrimidin-2-ylsulfanyl)-<i>N</i>-phenylbenzamide
• Authors of publication: Jun Wu; Mei-Feng Chen; Li-Hong Wang; Pei-Zhi Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3728 - o3729
• a: 9.375 ± 0.0001 Å
• b: 14.4845 ± 0.0002 Å
• c: 26.439 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3590.21 ± 0.07 ų
• Cell temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes