Information card for entry 2003614

Structure parameters

• Formula: C12 H12 N4 O2 S
• Calculated formula: C12 H12 N4 O2 S
• Title of publication: 6-Methylamino-4-methylthio-5-nitro-2-phenylpyrimidine
• Authors of publication: Pomés Hernández, R.; Duque Rodríguez, J.; García Trimiño, M. I.; Novoa de Armas, H.; Toscano, R. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1392 - 1394
• a: 5.335 ± 0.002 Å
• b: 10.625 ± 0.002 Å
• c: 11.886 ± 0.002 Å
• α: 109.36 ± 0.02°
• β: 96.47 ± 0.02°
• γ: 90.56 ± 0.02°
• Cell volume: 630.8 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No