Cu3L2.cif from Investigating the geometrical preferences of a flexible benzimidazolone-based linker in the synthesis of coordination polymers

A series of new group 2 coordination polymers, MgL = {MgL(H2O)(DMF)0.75}, CaL = {CaL(DMF)2}, SrL = {SrL(H2O)0.5} and BaL = {BaL(H2O)0.5}, were synthesized using a flexible benzimidazolone diacetic acid linker (L) in which the two carboxylic acid binding sites are connected to a planar core via {–CH2–} spacers that can freely rotate in solution. In a ‘curiosity-led' diversion from group 2 metals, the first row transition metal salts Mn2+, Cu2+ and Zn2+ were also reacted with L to yield crystals of MnL = {MnL(DMF)(H2O)3.33}, Cu3L2 = {Cu3L2(DMF)2(CHO2)2} and ZnL = {ZnL(DMF)}. Crystal structures were obtained for all seven materials. All structures form as two-dimensional sheets and, with the exception of ZnL, which displays tetrahedrally coordinated metal centres, and Cu3L2, which contains square planar coordinated metal centres and Cu paddle wheels, contain six-coordinate metal centres. In each structure, the linker adopts one of two distinct conformations, with the carboxylate groups either cis or trans to each other with respect to the plane of the core. All materials were also characterized by powder X-ray diffraction and thermogravimetric analysis.