7-(5-Methylsulfanyl-β-d-erythrofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrate (MT-tubercidin·H2O)
The title compound, C12H16N4O3S·H2O, 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 ca...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2010-07-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810020179 |
| _version_ | 1819104844794822656 |
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| author | Graeme J. Gainsford Richard F. G. Fröhlich Gary B. Evans |
| author_facet | Graeme J. Gainsford Richard F. G. Fröhlich Gary B. Evans |
| author_sort | Graeme J. Gainsford |
| collection | DOAJ |
| description | The title compound, C12H16N4O3S·H2O, 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. |
| first_indexed | 2024-12-22T02:12:49Z |
| format | Article |
| id | doaj.art-c44f176e3815466fb1ba6d9747a35d02 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-22T02:12:49Z |
| publishDate | 2010-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-c44f176e3815466fb1ba6d9747a35d022022-12-21T18:42:21ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-07-01667o1688o168910.1107/S16005368100201797-(5-Methylsulfanyl-β-d-erythrofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrate (MT-tubercidin·H2O)Graeme J. GainsfordRichard F. G. FröhlichGary B. EvansThe title compound, C12H16N4O3S·H2O, 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.http://scripts.iucr.org/cgi-bin/paper?S1600536810020179 |
| spellingShingle | Graeme J. Gainsford Richard F. G. Fröhlich Gary B. Evans 7-(5-Methylsulfanyl-β-d-erythrofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrate (MT-tubercidin·H2O) Acta Crystallographica Section E |
| title | 7-(5-Methylsulfanyl-β-d-erythrofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrate (MT-tubercidin·H2O) |
| title_full | 7-(5-Methylsulfanyl-β-d-erythrofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrate (MT-tubercidin·H2O) |
| title_fullStr | 7-(5-Methylsulfanyl-β-d-erythrofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrate (MT-tubercidin·H2O) |
| title_full_unstemmed | 7-(5-Methylsulfanyl-β-d-erythrofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrate (MT-tubercidin·H2O) |
| title_short | 7-(5-Methylsulfanyl-β-d-erythrofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrate (MT-tubercidin·H2O) |
| title_sort | 7 5 methylsulfanyl amp 946 d erythrofuranosyl 7h pyrrolo 2 3 d pyrimidin 4 amine monohydrate mt tubercidin amp 183 h2o |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810020179 |
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