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Information card for entry 2312662
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Coordinates | 2312662.cif |
---|---|
Structure factors | 2312662.hkl |
Original IUCr paper | HTML |
Common name | 2,4,6-Triaminopyrimidin-1-ium sorbate dihydrate |
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Chemical name | 2,4,6-Triaminopyrimidin-1-ium 2,4-hexadienoate dihydrate |
Formula | C10 H19 N5 O4 |
Calculated formula | C10 H19 N5 O4 |
Title of publication | Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate. |
Authors of publication | Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J. |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | Pt 11 |
Pages of publication | 728 - 733 |
a | 8.2507 ± 0.0004 Å |
b | 8.587 ± 0.0004 Å |
c | 10.6398 ± 0.0005 Å |
α | 105.438 ± 0.002° |
β | 109.18 ± 0.002° |
γ | 94.887 ± 0.002° |
Cell volume | 673.83 ± 0.06 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 | 0.0585 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1226 |
Weighted residual factors for all reflections included in the refinement | 0.1322 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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