Information card for entry 2009565

Structure parameters

• Chemical name: 6-(2-furfurylamino)-2-(2-furyl)-4-methylthio-5-nitropyrimidine
• Formula: C14 H12 N4 O4 S
• Calculated formula: C14 H12 N4 O4 S
• Title of publication: 5-Nitropyrimidines from 3,3-diamino(2-nitro)thioacrylamides. Structure of 6-(2-furfurylamino)-2-(2-furyl)-4-methylthio-5-nitropyrimidine
• Authors of publication: Linden, Anthony; Heimgartner, Heinz; García Trimiño, Maria Isabel; Macías Cabrera, Arturo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 421 - 424
• a: 11.099 ± 0.003 Å
• b: 15.2 ± 0.004 Å
• c: 4.416 ± 0.002 Å
• α: 95.23 ± 0.03°
• β: 96.84 ± 0.03°
• γ: 93.74 ± 0.02°
• Cell volume: 734.4 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0427
• Goodness-of-fit parameter for significantly intense reflections: 1.64
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No