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[(1-Methylcytosine)2H]I, an asymmetric base pair


Müller, Jens; Freisinger, Eva (2005). [(1-Methylcytosine)2H]I, an asymmetric base pair. Acta Crystallographica Section E Structure Reports Online, 61(2):o320-o322.

Abstract

The X-ray crystal structure of the title compound, 1-methyl­cytosinium iodide 1-methyl­cytosine, [(1-MeC)2H]I (1-MeC is 1-methyl­cytosine) or C5H8N3O+·I−·C5H7N3O, has been determined at 163 K. In this compound, one protonated (1-MeCH+) and one neutral methyl­cytosine (1-MeC) moiety form an asymmetric base pair comprising three hydrogen bonds. A previous structure determination [Krüger, Bruhn & Steinborn (2004). Org. Biomol. Chem.2, 2513–2516] showed the same cell parameters but a centrosymmetric base pair in space group P21/c. At low temperature, however, we discovered the title compound to be a racemic twin showing pseudo-centrosymmetry.

Abstract

The X-ray crystal structure of the title compound, 1-methyl­cytosinium iodide 1-methyl­cytosine, [(1-MeC)2H]I (1-MeC is 1-methyl­cytosine) or C5H8N3O+·I−·C5H7N3O, has been determined at 163 K. In this compound, one protonated (1-MeCH+) and one neutral methyl­cytosine (1-MeC) moiety form an asymmetric base pair comprising three hydrogen bonds. A previous structure determination [Krüger, Bruhn & Steinborn (2004). Org. Biomol. Chem.2, 2513–2516] showed the same cell parameters but a centrosymmetric base pair in space group P21/c. At low temperature, however, we discovered the title compound to be a racemic twin showing pseudo-centrosymmetry.

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Scopus Subject Areas:Physical Sciences > General Chemistry
Physical Sciences > General Materials Science
Physical Sciences > Condensed Matter Physics
Language:English
Date:2005
Deposited On:27 Jun 2012 11:45
Last Modified:20 May 2021 07:24
Publisher:International Union of Crystallography / Wiley-Blackwell
ISSN:1600-5368
OA Status:Green
Publisher DOI:https://doi.org/10.1107/S1600536805000693

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