Journal of Chemical Crystallography

, Volume 37, Issue 2, pp 141–145

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

Authors

    • Department of ChemistryUniversity of Rome I ‘La Sapienza’
  • Marcello Colapietro
    • Department of ChemistryUniversity of Rome I ‘La Sapienza’
Original Paper

DOI: 10.1007/s10870-006-9169-2

Cite this article as:
Portalone, G. & Colapietro, M. J Chem Crystallogr (2007) 37: 141. doi:10.1007/s10870-006-9169-2

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.

KEY WORDS:

5-Fluorocytosine5-Fluorocytosinium chloridenucleobasescrystal engineeringmolecular recognition.

Copyright information

© Springer Science+Business Media, LLC 2006