9-(1,1-Dimethyl-3-oxobutyl)adenine
The title compound, C11H15N5O, crystallizes with two independent molecules in the asymmetric unit, both of which contain essentially planar imidazole and pyrimidine rings [maximum deviations = 0.002 (2) and 0.026 (2) Å, respectively, for the fir...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-10-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810034628 |
| _version_ | 1819277922982166528 |
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| author | Jingya Ma Huiyan Li Mingshu Wu Dulin Kong |
| author_facet | Jingya Ma Huiyan Li Mingshu Wu Dulin Kong |
| author_sort | Jingya Ma |
| collection | DOAJ |
| description | The title compound, C11H15N5O, crystallizes with two independent molecules in the asymmetric unit, both of which contain essentially planar imidazole and pyrimidine rings [maximum deviations = 0.002 (2) and 0.026 (2) Å, respectively, for the first molecule, and 0.001 (2) and 0.025 (2) Å for the second]; the dihedral angles between the rings are 2.1 (2) and 1.7 (2)° in the two molecules. The crystal structure is stabilized by intermolecular N—H...N hydrogen bonds, defining chains along a, which are further linked by weak intermolecular π–π contacts [centroid centroid distance = 3.7989 (16) Å] into planes parallel to (01overline{1}). |
| first_indexed | 2024-12-24T00:03:49Z |
| format | Article |
| id | doaj.art-a29e6b244d67460a90a0e73be8ddfe28 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T00:03:49Z |
| publishDate | 2010-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-a29e6b244d67460a90a0e73be8ddfe282022-12-21T17:25:03ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-10-016610o2475o247510.1107/S16005368100346289-(1,1-Dimethyl-3-oxobutyl)adenineJingya MaHuiyan LiMingshu WuDulin KongThe title compound, C11H15N5O, crystallizes with two independent molecules in the asymmetric unit, both of which contain essentially planar imidazole and pyrimidine rings [maximum deviations = 0.002 (2) and 0.026 (2) Å, respectively, for the first molecule, and 0.001 (2) and 0.025 (2) Å for the second]; the dihedral angles between the rings are 2.1 (2) and 1.7 (2)° in the two molecules. The crystal structure is stabilized by intermolecular N—H...N hydrogen bonds, defining chains along a, which are further linked by weak intermolecular π–π contacts [centroid centroid distance = 3.7989 (16) Å] into planes parallel to (01overline{1}).http://scripts.iucr.org/cgi-bin/paper?S1600536810034628 |
| spellingShingle | Jingya Ma Huiyan Li Mingshu Wu Dulin Kong 9-(1,1-Dimethyl-3-oxobutyl)adenine Acta Crystallographica Section E |
| title | 9-(1,1-Dimethyl-3-oxobutyl)adenine |
| title_full | 9-(1,1-Dimethyl-3-oxobutyl)adenine |
| title_fullStr | 9-(1,1-Dimethyl-3-oxobutyl)adenine |
| title_full_unstemmed | 9-(1,1-Dimethyl-3-oxobutyl)adenine |
| title_short | 9-(1,1-Dimethyl-3-oxobutyl)adenine |
| title_sort | 9 1 1 dimethyl 3 oxobutyl adenine |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810034628 |
| work_keys_str_mv | AT jingyama 911dimethyl3oxobutyladenine AT huiyanli 911dimethyl3oxobutyladenine AT mingshuwu 911dimethyl3oxobutyladenine AT dulinkong 911dimethyl3oxobutyladenine |