Crystal structure of pharmaceutical cocrystals of 2,6‐diaminopyridine with piracetam and theophylline

Pharmaceutical cocrystals are crystalline solids formed by an active pharmaceutical ingredient and a cocrystal former. The cocrystals 2,6‐diaminopyridine (DAP)–piracetam [PIR; systematic name: 2‐(2‐oxopyrrolidin‐1‐yl)acetamide] (1/1), C5H7N3·C6H10N2O2, (I), and 2,6‐diaminopyridine–theophylline (TEO;...

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Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2017-10, Vol.73 (10), p.767-772
Main Authors: Durán-Palma, Melissa Hidekel, Mendoza-Barraza, Sonia Sanet, Magaña-Vergara, Nancy Evelyn, Martínez-Martínez, Francisco Javier, González-González, Juan Saulo
Format: Article
Language:English
Subjects:
2,6‐diaminopyridine
Chemical bonds
cocrystal
Crystal structure
Crystallization
Crystals
Diffraction
Grinding
hydrogen bond
Hydrogen bonds
Infrared spectroscopy
mechanochemistry
Pharmaceuticals
piracetam
Self-assembly
Stoichiometry
Theophylline
X-ray diffraction
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Summary:Pharmaceutical cocrystals are crystalline solids formed by an active pharmaceutical ingredient and a cocrystal former. The cocrystals 2,6‐diaminopyridine (DAP)–piracetam [PIR; systematic name: 2‐(2‐oxopyrrolidin‐1‐yl)acetamide] (1/1), C5H7N3·C6H10N2O2, (I), and 2,6‐diaminopyridine–theophylline (TEO; systematic name: 1,3‐dimethyl‐7H‐purine‐2,6‐dione) (1/1), C5H7N3·C7H8N4O2, (II), were prepared by the solvent‐assisted grinding method and were characterized by IR spectroscopy and powder X‐ray diffraction. Cocrystal (I) crystallized in the orthorhombic space group Pbca and showed a 1:1 stoichiometry. The DAP and PIR molecules are linked by an N—H…O hydrogen‐bond interaction. Self‐assembly of PIR molecules forms a sheet of C(4) and C(7) chains. Cocrystal (II) crystallized in the monoclinic P21/c space group and also showed a 1:1 stoichiometry. The DAP and TEO molecules are connected by N—H…N and N—H…O hydrogen bonds, forming an R22(9) heterosynthon. A bidimensional supramolecular array is formed by interlinked DAP–TEO tetramers, producing a two‐dimensional sheet. Two cocrystals of 2,6‐diaminopyridine with the active pharmaceutical ingredients (APIs) piracetam and theophylline were prepared by the solvent‐assisted grinding method.
ISSN:2053-2296
0108-2701
2053-2296
1600-5759
DOI:10.1107/S205322961701230X