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Issue 10, 1988
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Crystal and molecular structure of cytosine hemitrichloroacetate

Abstract

The crystal structure of cytosine hemitrichloroacetate (C4H5N3O)2·HOOCCCI3 has been determined at room temperature by X-ray crystallographic analysis. The structure consists of crystallographically independent, centrosymmetric triple hydrogen-bonded cytosine pairs, A and B, and trichloroacetate anions. Base pairing occurs between symmetry-equivalent hemiprotonated cytosines with a proton shared between the N(3) atoms. The observed N(3)⋯ N(3′) distances of 2.755(8) and 2.858(8)Å in base pair A and B, respectively, are typical for asymmetric hydrogen bonds described by an asymmetric double minimum-energy curve. The i.r. spectrum is consistent with that predicted for this type of bridge system.

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Article information


J. Chem. Soc., Perkin Trans. 2, 1988, 1775-1779
Article type
Paper

Crystal and molecular structure of cytosine hemitrichloroacetate

M. Gdaniec, B. Brycki and M. Szafran, J. Chem. Soc., Perkin Trans. 2, 1988, 1775
DOI: 10.1039/P29880001775

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