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Anhydrous guanine: A synchrotron study

Lookup NU author(s): Kathy Guille, Emeritus Professor Bill Clegg

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Abstract

Very small crystals of anhydrous guanine (systematic name: 2-amino-l,7-dihydro-6H-purin-6-one), C5H5N5O, were obtained from an attempted solvothermal synthesis of a potassium complex. Data were collected at 120 K using a synchrotron radiation source. There is one essentially planar molecule in the asymmetric unit. Molecules are linked to each other by N-H⋯N and N-H⋯O hydrogen bonds to form sheets, between which there are π-π stacking interactions. This crystal structure determination demonstrates conclusively that, in the absence of any solvent or other molecules, guanine exists as the amino-keto tautomer in the solid state, with H atoms attached to N1 and N7 (purine numbering), unlike its monohydrate, which has H atoms on N1 and N9. © 2006 International Union of Crystallography.


Publication metadata

Author(s): Guille K, Clegg W

Publication type: Article

Publication status: Published

Journal: Acta Crystallographica Section C: Crystal Structure Communications

Year: 2006

Volume: 62

Issue: 8

Pages: o515-o517

ISSN (print): 0108-2701

ISSN (electronic): 1600-5759

Publisher: Wiley-Blackwell

URL: http://dx.doi.org/10.1107/S0108270106026011

DOI: 10.1107/S0108270106026011

PubMed id: 16891735


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