Abstract—The interaction of water clusters with acetylene molecules at T = 230 K was studied by the molecular dynamics method. The structure of clusters was analyzed by constructing Voronoi polyhedra. Water clusters interacting with C2H2 molecules are characterized by a diversity of H-bond orientations, a more uniform distribution of H-bonds over the cluster volume, a larger number of bonds per atom, and smaller bond lengths. The spectrum of bond lengths broadens as the number of acetylene molecules interacting with the water cluster increases. C2H2 molecules have a pressing action on water clusters.