Literature DB >> 25844188

Crystal structure of disodium 2-amino-6-oxo-6,7-di-hydro-1H-purine-1,7-diide hepta-hydrate.

Dvir Gur1, Linda J W Shimon2.   

Abstract

In the title compound, disodium 2-amino-6-oxo-6,7-di-hydro-1H-purine-1,7-diide hepta-hydrate, 2Na(+)·C5H3N5O(2-)·7H2O, the structure is composed of alternating (100) layers of guanine mol-ecules and hydrated Na(+) ions. Within the guanine layer, the mol-ecules are arranged in centrosymmetric pairs, with a partial overlap between the guanine rings. In this compound, guanine exists as the amino-keto tautomer from which deprotonation from N1 and N7 has occurred (purine numbering). There are no direct inter-actions between the Na(+) cations and the guanine anions. Guanine mol-ecules are linked to neighboring water mol-ecules by O-H⋯N and O-H⋯O hydrogen bonds into a network structure.

Entities:  

Keywords:  crystal structure; guanine salt; hydrogen bonds; nucleobase

Year:  2015        PMID: 25844188      PMCID: PMC4350748          DOI: 10.1107/S2056989015003163

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  10 in total

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Authors:  Dvir Gur; Ben Leshem; Dan Oron; Steve Weiner; Lia Addadi
Journal:  J Am Chem Soc       Date:  2014-11-26       Impact factor: 15.419

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8.  Guanine-based photonic crystals in fish scales form from an amorphous precursor.

Authors:  Dvir Gur; Yael Politi; Berta Sivan; Peter Fratzl; Steve Weiner; Lia Addadi
Journal:  Angew Chem Int Ed Engl       Date:  2012-09-05       Impact factor: 15.336

9.  Crystal structure refinement with SHELXL.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

10.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  10 in total

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