title: Comparative structural analysis of cytidine, ethenocytidine, and their protonated salts. I. Crystal and molecular structure of ethenocytidine.
abstract: The X-ray crystal and molecular structure of 3,N4-ethenocytidine (comes from Cyd) has been solved and refined on counter data to R = 0.038. A detailed discussion of the base electronic structure, molecular conformation and intermolecular interactions is the starting point for a comparative analysis of the series: Cyd, epsilon Cyd, Cyd . HCll and epsilon Cyd . HCl. Protonation changes the base electronic structure and results in a completely different molecular conformation and intermolecular interactions. Etheno-bridging does not alter the molecular conformation but it also changes the intermolecular interactions.
mesh_terms: D003562:Cytidine / Q000031:analogs & derivatives*; D006851:Hydrochloric Acid; D008968:Molecular Conformation; D013329:Structure-Activity Relationship; D014961:X-Ray Diffraction
chemical_list: C012962:3,N(4)-ethenocytidine; D003562:Cytidine; D006851:Hydrochloric Acid