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Theophylline–gentisic acid (1/1)

In the title 1:1 cocrystal, C(7)H(8)N(4)O(2)·C(7)H(6)O(4), 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 hy...

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Detalles Bibliográficos
Autores principales: Aitipamula, Srinivasulu, Chow, Pui Shan, Tan, Reginald B. H.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970150/
https://www.ncbi.nlm.nih.gov/pubmed/21577539
http://dx.doi.org/10.1107/S1600536809031031
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author Aitipamula, Srinivasulu
Chow, Pui Shan
Tan, Reginald B. H.
author_facet Aitipamula, Srinivasulu
Chow, Pui Shan
Tan, Reginald B. H.
author_sort Aitipamula, Srinivasulu
collection PubMed
description In the title 1:1 cocrystal, C(7)H(8)N(4)O(2)·C(7)H(6)O(4), 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.
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spelling pubmed-29701502010-12-30 Theophylline–gentisic acid (1/1) Aitipamula, Srinivasulu Chow, Pui Shan Tan, Reginald B. H. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title 1:1 cocrystal, C(7)H(8)N(4)O(2)·C(7)H(6)O(4), 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. International Union of Crystallography 2009-08-08 /pmc/articles/PMC2970150/ /pubmed/21577539 http://dx.doi.org/10.1107/S1600536809031031 Text en © Aitipamula et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Aitipamula, Srinivasulu
Chow, Pui Shan
Tan, Reginald B. H.
Theophylline–gentisic acid (1/1)
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–gentisic acid (1/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970150/
https://www.ncbi.nlm.nih.gov/pubmed/21577539
http://dx.doi.org/10.1107/S1600536809031031
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