Theophylline–gentisic acid (1/1)
In the title 1:1 cocrystal, C7H8N4O2·C7H6O4, the anti-asthmatic drug theophylline (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and a non-steroidal anti-inflammatory drug, gentisic acid (systematic name: 2,5-dihydroxybenzoic acid) crystallize together, forming two-dimensional hydr...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009-09-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809031031 |
| _version_ | 1818283597148192768 |
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| author | Srinivasulu Aitipamula Pui Shan Chow Reginald B. H. Tan |
| author_facet | Srinivasulu Aitipamula Pui Shan Chow Reginald B. H. Tan |
| author_sort | Srinivasulu Aitipamula |
| collection | DOAJ |
| description | In the title 1:1 cocrystal, C7H8N4O2·C7H6O4, the anti-asthmatic drug theophylline (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and a non-steroidal anti-inflammatory drug, gentisic acid (systematic name: 2,5-dihydroxybenzoic acid) crystallize together, forming two-dimensional hydrogen-bonded sheets involving N—H...O and O—H...N hydrogen bonds. The overall crystal packing features π–π stacking interactions [centroid–centroid distance = 3.348 (1) Å]. The cocrystal described herein belongs to the class of pharmaceutical cocrystals involving two active pharmaceutical ingredients which has been relatively unexplored to date. |
| first_indexed | 2024-12-13T00:39:26Z |
| format | Article |
| id | doaj.art-de103bbca49b4a068141290c7b92b135 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T00:39:26Z |
| publishDate | 2009-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-de103bbca49b4a068141290c7b92b1352022-12-22T00:05:09ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-09-01659o2126o212710.1107/S1600536809031031Theophylline–gentisic acid (1/1)Srinivasulu AitipamulaPui Shan ChowReginald B. H. TanIn the title 1:1 cocrystal, C7H8N4O2·C7H6O4, the anti-asthmatic drug theophylline (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and a non-steroidal anti-inflammatory drug, gentisic acid (systematic name: 2,5-dihydroxybenzoic acid) crystallize together, forming two-dimensional hydrogen-bonded sheets involving N—H...O and O—H...N hydrogen bonds. The overall crystal packing features π–π stacking interactions [centroid–centroid distance = 3.348 (1) Å]. The cocrystal described herein belongs to the class of pharmaceutical cocrystals involving two active pharmaceutical ingredients which has been relatively unexplored to date.http://scripts.iucr.org/cgi-bin/paper?S1600536809031031 |
| spellingShingle | Srinivasulu Aitipamula Pui Shan Chow Reginald B. H. Tan Theophylline–gentisic acid (1/1) Acta Crystallographica Section E |
| title | Theophylline–gentisic acid (1/1) |
| title_full | Theophylline–gentisic acid (1/1) |
| title_fullStr | Theophylline–gentisic acid (1/1) |
| title_full_unstemmed | Theophylline–gentisic acid (1/1) |
| title_short | Theophylline–gentisic acid (1/1) |
| title_sort | theophylline amp 8211 gentisic acid 1 1 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536809031031 |
| work_keys_str_mv | AT srinivasuluaitipamula theophyllineamp8211gentisicacid11 AT puishanchow theophyllineamp8211gentisicacid11 AT reginaldbhtan theophyllineamp8211gentisicacid11 |