Catena-Poly[[aqua-bis-(4-formyl-benzoato-?(2) O (1),O (1'))cadmium]-?-pyrazine-?(2) N:N'].

ABSTRACT: The polymeric title compound, [Cd(C8H5O3)2(C4H4N2)(H2O)] n , contains two 4-formyl-benzoate (FB) anions, one pyrazine mol-ecule and one coordinating water mol-ecule; the FB anions act as bidentate ligands. The O atom, the aldehyde H atom and the benzene ring of one of the FB anions are disordered over two positions. The O atoms were freely refined [refined occupancy ratio 0.79?(2):0.21?(2)], while the aldehyde H atoms and the benzene ring atoms were refined with fixed occupancy ratios of 0.8:0.2 and 0.5:0.5, respectively. In the ordered FB anion, the carboxyl-ate group is twisted away from the attached benzene ring (A) by 22.7?(8)°. In the disordered FB anion, the corresponding angles are 15.6?(10) and 11.4?(11)° for rings B and B', respectively. Benzene rings A and B are oriented at a dihedral angle of 24.2?(7), A and B' at 43.0?(8)°. The pyrazine ring makes dihedral angles of 67.5?(4), 89.6?(7) and 86.2?(7)°, respectively, with benzene rings A, B and B'. The pyrazine ligands bridge the Cd(II) cations, forming polymeric chains running along the b-axis direction. In the crystal, O-Hwater ? Ocarboxyl-ate hydrogen bonds link adjacent chains into layers parallel to the bc plane. These layers are linked via C-Hpyrazine ? Oform-yl hydrogen bonds, forming a three-dimensional network. ?-? interactions [centroid-centroid distances = 3.870?(11)-3.951?(5)?Å] further stabilize the crystal structure. There is also a weak C-H?? inter-action present.

SUBMITTER: Celik F 

PROVIDER: S-EPMC3998250 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature