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Crystal structure of 6,7-dihy-droxy-6,7-di-hydro-3H-imidazo[1,2-a]purin-9(5H)-one.

ABSTRACT: The title purine derivative, C7H7N5O3, is an adduct of guanine with glyoxal. In the mol-ecule, the di-hydro-imidazole ring adopts a twisted conformation on the C-C bond, and the two hydroxyl groups lie on opposite sides of the mean plane of the ring. In the crystal, the mol-ecules are linked by N-H?O, O-H?N and N-H?N hydrogen bonds forming a three-dimensional framework. The crystal packing is reinforced by C-H?O hydrogen bonds and by offset ?-? stacking of the purine ring systems of inversion related mol-ecules [inter-centroid distance = 3.4839?(12)?Å].

SUBMITTER: Guo W

PROVIDER: S-EPMC4971859 | biostudies-other | 2016 Aug

REPOSITORIES: biostudies-other

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Crystal structure of 6,7-dihy-droxy-6,7-di-hydro-3H-imidazo[1,2-a]purin-9(5H)-one.

Guo Wei W Li Cheng-Xun CX Lv Jie J Wang Jing J

Acta crystallographica. Section E, Crystallographic communications 20160719 Pt 8

The title purine derivative, C7H7N5O3, is an adduct of guanine with glyoxal. In the mol-ecule, the di-hydro-imidazole ring adopts a twisted conformation on the C-C bond, and the two hydroxyl groups lie on opposite sides of the mean plane of the ring. In the crystal, the mol-ecules are linked by N-H⋯O, O-H⋯N and N-H⋯N hydrogen bonds forming a three-dimensional framework. The crystal packing is reinforced by C-H⋯O hydrogen bonds and by offset π-π stacking of the purine ring systems of inversion re ...[more]

PMID: 27536400

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