Crystal Structure of 1,1′-Propane-1,3-diyl-dibenzimidazolium Dichloride Tetrahydrate

Abstract

The title compound, C<inf>17</inf>H<inf>26</inf>N<inf>4</inf>O<inf>4</inf>Cl<inf>2</inf>, was synthesized by reacting benzimidazole, metallic Na and 1,3-dibromopropane in THF. It crsytallizes in the monoclinic C2/c space group. The unit-cell parameters at room temperature are a = 20.818(5)Å, b = 7.754(5)Å, c = 15.133(5)Å, β = 123.221(5), V = 2043.6(16)Å3, D<inf>x</inf> = 1.369 g/cm3, Z = 4. The molecules of the title compound lie on the crystallographic two-fold axis and an asymmetric unit in the unitcell contains half of the molecule and two waters and one chlorine ion. The crystal structure is stabilized by the N-H·O, O-H·O, O-H·Cl, C-H·O and C-H·Cl hydrogen bonding interactions. 2006 © The Japan Society for Analytical Chemistry.