Information card for entry 2210413

Structure parameters

• Chemical name: 1,3-Bis(2-chlorobenzoyl)-3,4,5,6-tetrahydropyrimidine-2(1H)-thione
• Formula: C18 H14 Cl2 N2 O2 S
• Calculated formula: C18 H14 Cl2 N2 O2 S
• Title of publication: 1,3-Bis(2-chlorobenzoyl)-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione
• Authors of publication: Sema Öztürk Yıldırım; Mehmet Akkurt; Murat Genç; Memet Şekerci; H.-K. Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3697 - o3698
• a: 11.361 ± 0.005 Å
• b: 12.917 ± 0.005 Å
• c: 12.186 ± 0.005 Å
• α: 90°
• β: 95.399 ± 0.005°
• γ: 90°
• Cell volume: 1780.4 ± 1.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes