In:
Acta Crystallographica Section C Crystal Structure Communications, International Union of Crystallography (IUCr), Vol. 69, No. 6 ( 2013-06-15), p. 674-678
Abstract:
The crystal structure of the free base of the antidiabetic drug alogliptin [systematic name: 2-({6-[(3 R )-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile] , C 18 H 21 N 5 O 2 , displays a two-dimensional N—H...O hydrogen-bonded network. It contains two independent molecules, which have the same conformation but differ in their hydrogen-bond connectivity. In the crystal structure of the benzoate salt (systematic name: (3 R )-1-{3-[(2-cyanophenyl)methyl]-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}piperidin-3-aminium benzoate), C 18 H 22 N 5 O 2 + ·C 7 H 5 O 2 − , the NH 3 + group of the cation is engaged in three intermolecular N—H...O hydrogen bonds to yield a hydrogen-bonded layer structure. The benzoate salt and the free base differ fundamentally in the conformations of their alogliptin moieties.
Type of Medium:
Online Resource
ISSN:
0108-2701
DOI:
10.1107/S0108270113012560
DOI:
10.1107/S0108270113012560/gz3235sup1.cif
DOI:
10.1107/S0108270113012560/gz3235Isup2.hkl
DOI:
10.1107/S0108270113012560/gz3235IIsup3.hkl
DOI:
10.1107/S0108270113012560/gz3235Isup4.cml
DOI:
10.1107/S0108270113012560/gz3235IIsup5.cml
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2013
detail.hit.zdb_id:
2025703-X
SSG:
13
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