Information card for entry 2019142

Structure parameters

• Common name: Bis(6-amino-3-methyl-2-methylsulfanyl-4-oxopyrimidin-5-yl)methane
• Chemical name: 5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]
• Formula: C13 H18 N6 O2 S2
• Calculated formula: C13 H18 N6 O2 S2
• Title of publication: 5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]: an unusual molecular geometry within a hydrogen-bonded molecular ribbon
• Authors of publication: Trilleras, Jorge; Ramos, Juan; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 1043 - 1046
• a: 19.862 ± 0.006 Å
• b: 7.4877 ± 0.0019 Å
• c: 14.236 ± 0.005 Å
• α: 90°
• β: 133.61 ± 0.02°
• γ: 90°
• Cell volume: 1533 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes