Crystal structure and chirality of adenosine-5′-diphosphate coordination complex

Highlight•The first single crystal structure of neutral coordination complex of adenosine-5'-diphosphaten (ADP-Cu) was reported.•Molecular and supramolecular chirality of ADP-Cu were investigated intensively for the first time.•The research results in this work are unique and fundamental for coordination and supramolecular chemistry of diphosphate nucleotide.

The first neutral coordination complex of adenosine-5′-diphosphate (ADP) with transition metal Cu(II) ion, [Cu(phen)(H2ADP)(NO3)]·H2O (ADP–Cu) (ADP = adenosine-5′-diphosphate, phen = 1, 10-phenanthroline monohydrate) has been synthesized and investigated by X-ray single-crystal diffraction method. Based on its crystal structure and supramolecular assembly analysis, the molecular and supramolecular chirality of ADP–Cu was studied comprehensively by liquid- and solid-state circular dichroism (CD) spectroscopy. It is the first example of the study about the chirality and supramolecular chirality for polyphosphate nucleotide coordination complex.

Graphical abstractThe chirality and supramolecular chirality for polyphosphate nucleotide coordination complex was studied based on single crystal structure analysis combined with liquid and solid state circular dichroism (CD) spectroscopy for the first time.Figure optionsDownload full-size imageDownload as PowerPoint slide