Information card for entry 2000468

Structure parameters

• Formula: C6 H5 F3 N2 O S
• Calculated formula: C6 H5 F3 N2 O S
• Title of publication: 3-Methyl-2-thioxo-6-trifluoromethyl-2,3-dihydro-4(1<i>H</i>)-pyrimidinone
• Authors of publication: Tinant, B.; Feneau-Dupont, J.; Declercq, J.-P.; Evariste, F.; Viehe, H. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2032 - 2033
• a: 17.426 ± 0.011 Å
• b: 6.945 ± 0.01 Å
• c: 6.816 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 824.9 ± 1.3 ų
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No