Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.
Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.
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2,6-二氨基吡啶与吡拉西坦和茶碱药物共晶的晶体结构。
DOI：
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发表时间：
2017
期刊：
影响因子：
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通讯作者：
J. González
中科院分区：
文献类型：
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作者：
Melissa Hidekel Durán;S. S. Mendoza;Nancy E Magaña;F. Martínez;J. González
药物共晶体是由活性药物成分和共晶体形成物形成的结晶固体。用溶剂辅助研磨法制备了2，6-二氨基吡啶(DAP)-吡拉西坦[PIR；系统名称：2-(2-氧基吡咯烷基)乙酰胺](1/1)、C5H7N3·C6H10N2O2(I)和2，6-二氨基吡啶-茶碱(TeO；系统名称：1，3-二甲基-7H-嘌呤-2，6-二酮)(1/1)、C5H7N3·C7H8N4O2(II)共晶体。晶体(I)以正交晶系空间群Pbca晶化，化学计量比为1：1。DAP和PIR分子通过N-H…O氢键相互作用连接。PIR分子的自组装形成了一层C(4)和C(7)链。晶体(II)在单斜晶系P21/c空间群中结晶，其化学计量比为1：1。DAP和TeO分子通过N-H…N和N-H…O氢键连接，形成R22(9)异构体。通过DAP-TEO四聚体的相互连接，形成二维超分子阵列，形成二维片层。
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.
DOI：
10.1107/s0108767394005726
发表时间：
1995-01-01
期刊：
ACTA CRYSTALLOGRAPHICA SECTION A
影响因子：
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作者：
BLESSING, RH
通讯作者：
BLESSING, RH