Catena-Poly[[AquaBis(4-FormylBenzoato-Κ2 O 1,O 1′)Cadmium]-Μ-Pyrazine-Κ2 N:N′]
Tarih
2014Yazar
Çelik, Fatih
Dilek, Nefise
Delibaş, Nagihan Çaylak
Necefoğlu, Hacali
Hökelek, Tuncer
Üst veri
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The polymeric title compound, [Cd(C8H5O3)2(C4H4N2)(H2O)]n, contains two 4-formylbenzoate (FB) anions, one pyrazine molecule and one coordinating water molecule; 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 carboxylate 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 CdII cations, forming polymeric chains running along the b-axis direction. In the crystal, O—Hwater ⋯ Ocarboxylate hydrogen bonds link adjacent chains into layers parallel to the bc plane. These layers are linked via C—Hpyrazine ⋯ Oformyl hydrogen bonds, forming a three-dimensional network. π–π interactions [centroid–centroid distances = 3.870 (11)–3.951 (5) Å] further stabilize the crystal structure. There is also a weak C—H⋯π interaction present.
Bağlantı
https://doi.org/10.1107/S1600536813035010https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998250/
http://hdl.handle.net/11655/18148