Information card for entry 2311626

Structure parameters

• Common name: 2-Amino-4,6-dimethylpyrimidine‒sorbic acid (1/1)
• Chemical name: 2-Amino-4,6-dimethylpyrimidine‒sorbic acid (1/1)
• Formula: C12 H17 N3 O2
• Calculated formula: C12 H17 N3 O2
• SMILES: n1c(N)nc(cc1C)C.O=C(O)/C=C\C=C\C
• Title of publication: 2-Amino-4,6-di-methyl-pyrimidine-sorbic acid (1/1).
• Authors of publication: Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 8
• Pages of publication: o1235
• a: 7.8441 ± 0.0006 Å
• b: 9.9413 ± 0.0008 Å
• c: 10.2846 ± 0.0013 Å
• α: 112.058 ± 0.007°
• β: 98.333 ± 0.008°
• γ: 111.306 ± 0.005°
• Cell volume: 654.69 ± 0.13 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No