Cargando…
Crystal structure of 6,7-dihydroxy-6,7-dihydro-3H-imidazo[1,2-a]purin-9(5H)-one
The title purine derivative, C(7)H(7)N(5)O(3), is an adduct of guanine with glyoxal. In the molecule, the dihydroimidazole 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 molecules are linked...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971859/ https://www.ncbi.nlm.nih.gov/pubmed/27536400 http://dx.doi.org/10.1107/S2056989016009087 |
_version_ | 1782446176094650368 |
---|---|
author | Guo, Wei Li, Cheng-Xun Lv, Jie Wang, Jing |
author_facet | Guo, Wei Li, Cheng-Xun Lv, Jie Wang, Jing |
author_sort | Guo, Wei |
collection | PubMed |
description | The title purine derivative, C(7)H(7)N(5)O(3), is an adduct of guanine with glyoxal. In the molecule, the dihydroimidazole 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 molecules 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 related molecules [intercentroid distance = 3.4839 (12) Å]. |
format | Online Article Text |
id | pubmed-4971859 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49718592016-08-17 Crystal structure of 6,7-dihydroxy-6,7-dihydro-3H-imidazo[1,2-a]purin-9(5H)-one Guo, Wei Li, Cheng-Xun Lv, Jie Wang, Jing Acta Crystallogr E Crystallogr Commun Research Communications The title purine derivative, C(7)H(7)N(5)O(3), is an adduct of guanine with glyoxal. In the molecule, the dihydroimidazole 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 molecules 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 related molecules [intercentroid distance = 3.4839 (12) Å]. International Union of Crystallography 2016-07-19 /pmc/articles/PMC4971859/ /pubmed/27536400 http://dx.doi.org/10.1107/S2056989016009087 Text en © Guo et al. 2016 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 | Research Communications Guo, Wei Li, Cheng-Xun Lv, Jie Wang, Jing Crystal structure of 6,7-dihydroxy-6,7-dihydro-3H-imidazo[1,2-a]purin-9(5H)-one |
title | Crystal structure of 6,7-dihydroxy-6,7-dihydro-3H-imidazo[1,2-a]purin-9(5H)-one |
title_full | Crystal structure of 6,7-dihydroxy-6,7-dihydro-3H-imidazo[1,2-a]purin-9(5H)-one |
title_fullStr | Crystal structure of 6,7-dihydroxy-6,7-dihydro-3H-imidazo[1,2-a]purin-9(5H)-one |
title_full_unstemmed | Crystal structure of 6,7-dihydroxy-6,7-dihydro-3H-imidazo[1,2-a]purin-9(5H)-one |
title_short | Crystal structure of 6,7-dihydroxy-6,7-dihydro-3H-imidazo[1,2-a]purin-9(5H)-one |
title_sort | crystal structure of 6,7-dihydroxy-6,7-dihydro-3h-imidazo[1,2-a]purin-9(5h)-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971859/ https://www.ncbi.nlm.nih.gov/pubmed/27536400 http://dx.doi.org/10.1107/S2056989016009087 |
work_keys_str_mv | AT guowei crystalstructureof67dihydroxy67dihydro3himidazo12apurin95hone AT lichengxun crystalstructureof67dihydroxy67dihydro3himidazo12apurin95hone AT lvjie crystalstructureof67dihydroxy67dihydro3himidazo12apurin95hone AT wangjing crystalstructureof67dihydroxy67dihydro3himidazo12apurin95hone |