A calcium(II) coordination polymer showing two different bridging 2-carbamoyl-4-nitrobenzoate coordination modes

Abstract

Aqueous reaction of CaCO 3 with 2-carbamoyl-4-nitrobenzoic acid (2-ca-4nbaH) results in the formation of a 1-D coordination polymer [Ca(H 2 O) 2 (2-ca-4nba) 2 ] (1), which crystallizes in the centrosymmetric triclinic space group P 1. The structure consists of a central Ca(II), two coordinated waters, a symmetrical bridging (m 2 -Z 1 : Z 1 ) 2-ca-4nba, and a tridentate bridging (m 2 -Z 2 : Z 1 ) 2-ca-4nba. The calcium in 1 is coordinated by two water molecules and five oxygens of four symmetry-related 2-ca-4nba, resulting in a distorted pentagonal bipyramidal {CaO 7 } polyhedron. Pairs of {Ca(H 2 O) 2 } units are linked into a 1-D coordination polymer extending along the a-axis with the aid of pairs of bridging 2-ca-4nba ligands. In the infinite chain, alternating pairs of Ca(II) ions exhibit Ca Á Á Á Ca separations of 4.124 and 4.855 Å .

Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies

“…The presence of bands due to ρ r (H 2 O) (716 cm −1 in 1 and 710 cm −1 in 2) and ρ w (H 2 O) (672 cm −1 in 1 and 670 cm −1 in 2) supports the presence of coordinated water molecules in the compounds [46]. The absorption bands at 1579 and 1344 cm −1 in 1 are due to the symmetric and asymmetric stretching vibrations of the nitro group of 4-NO 2 bz, respectively [47,48]. In 1, ν(C-C) and ν(C-N) stretching frequencies of 2-Mepy are obtained at 1595, 1520 and 1386 cm −1 , respectively, whereas out-of-plane deformation ν(C-H) stretching vibrations are observed at 811 and 752 cm −1 , respectively [49].…”

Calcium and strontium thiobarbiturates with discrete and polymeric structures

“…The growing interest in the coordination chemistry of s-block elements has been demonstrated by several recent reviews [1][2][3]. The coordination polymers have attracted much attention because of their intriguing topology and promising applications in catalysis, adsorption (gas storage), and separation technologies [4][5][6].…”

Synthesis, crystal structure and thermal properties of Ca6(C12H14O4)4(CO3)(OH)2(H2O)x – a 3D inorganic hybrid material

“…There is an increasing number of reported calcium containing metal-organic compounds with carboxylic groups as the functional part of the organic molecule. [6][7][8][9][10][11][12][13][14][15][16][17][18][19] They are interesting e.g. as bioactive materials, 8 green catalysts 9 and hydrogen storage materials.…”