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7-(5-Methylsulfanyl-β-d-erythrofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrate (MT-tubercidin·H(2)O)
The title compound, C(12)H(16)N(4)O(3)S·H(2)O, which has potential as a possible antimalarial drug, was studied when small deviations in melting points, for two differently aged preparations, were observed. The unexpected existence of a water molecule of crystallization is considered to be the cau...
| Autores principales: | , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2010
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006811/ https://www.ncbi.nlm.nih.gov/pubmed/21587912 http://dx.doi.org/10.1107/S1600536810020179 |
| Sumario: | The title compound, C(12)H(16)N(4)O(3)S·H(2)O, which has potential as a possible antimalarial drug, was studied when small deviations in melting points, for two differently aged preparations, were observed. The unexpected existence of a water molecule of crystallization is considered to be the cause of this variation. The 7H-pyrrolo[2,3-d]pyrimidine unit is very slightly puckered with a total puckering amplitude of 0.035 (2) Å; its mean plane makes an angle of 88.40 (12)° with the mean plane through the ribofuranosyl unit. In the crystal, the molecules are bound by strong O—H⋯N and N—H⋯O hydrogen bonds, utilizing all available protons and linking mainly through the water of crystallization. |
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