, Volume 37, Issue 2, pp 141-145

Asymmetric base pairing in the complex 5-fluorocytosinium chloride/5-fluorocytosine monohydrate

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The structure of the complex 5-Fluorocytosinium chloride/5-Fluorocytosine monohydrate has been studied by X-ray diffraction methods. It crystallizes in the monoclinic system, space group P 21 /n, a = 7.1257 (15), b = 8.351 (3), c = 21.520 (4) Å, β = 92.89 (8)°, V = 1279.0 (6) Å3, Z = 4. The structure consists of triple hydrogen-bonded 5-Fluorocytosine pairs, water molecules and chloride anions. Asymmetric reversed Watson-Crick base pairing occurs between one protonated (5FcytH+) and one neutral 5-Fluorocytosine (5Fcyt) molecule.