Crystal Structures of Two Tetraalkylammonium Salts and One Dihydrate of 4,4'-Dihydroxybenzophenone

摘要

Two tetraalkylammonim salts and a dihydrate of 4,4'-dihydroxybenzophenone (DHBP) have been prepared and characterized by X-ray crystallography. In [(CH3)(4)N](C13H9O3) (1), the DHBP- anions pack to form two-dimensional puckered, hydrogen-bonded layers via O-H center dot center dot center dot O- hydrogen bonds between the hydroxyl groups. Comparatively, in [(C2H5)(4)N](2)(C13H8O3)center dot 10H(2)O, the DHBP2- anions act as proton acceptors to link ten water molecules generating two-dimensional planar hydrogen-bonded layers. The tetraalkylammonium cations are located between the hydrogen-bonded layers. Additionally, weak C-H center dot center dot center dot O hydrogen bonds between the anions and cations are present. The DHBP molecules in 3 ((C13H10O3)center dot 2H(2)O) are linked to the water molecules forming a three-dimensional hydrogen-bonded network by conventional O-H center dot center dot center dot O hydrogen bonding. Additionally, theoretical calculations were performed to explore the structural differences among the materials and the results were compared with the corresponding crystal structures.