The asymmetric unit of the title polymeric compound, [Zn(C8H5O3)2(C4H4N2)(H2O)] n , contains two mol-ecular units. Each unit comprises two 4-formyl-benzoate (FB) anions, one pyrazine mol-ecule and one coordinating water mol-ecule; the FB anions act either as bidentate or as monodentate ligands. The O atoms of the bidentately coordinating FB anions are disordered over two positions, and they were refined with fixed occupancy ratios of 0.75:0.25 and 0.70:0.30, respectively. In the ordered monodentately coordinating FB anions, the carboxyl-ate groups are twisted away from the attached benzene rings (B and E) by 12.1â (2) and 9.2â (2)°, respectively. In the disordered FB anions, the corresponding angles are 14.1â (1) and 4.0â (2)° for benzene rings A and D, respectively. Benzene rings A and B are oriented at a dihedral angle of 45.7â (1)°, D and E at 23.2â (1)°. Pyrazine ring C makes dihedral angles of 85.6â (1) and 72.7â (1)°, respectively, with benzene rings A and B, and pyrazine ring F makes dihedral angles of 87.0â (1) and 81.3â (1)° with benzene rings D and E, respectively. The pyrazine ligands bridge the Zn(II) cations, forming polymeric chains running parallel to the b-axis direction. Medium-strength intra-molecular O-Hâ¯O hydrogen bonds link the water mol-ecules to the carboxyl-ate O atoms. In the crystal, water-carboxyl-ate O-Hâ¯O hydrogen bonds link adjacent chains into layers parallel to the bc plane. The layers are linked via weak pyrazine-formyl C-Hâ¯O and form-yl-carboxyl-ate C-Hâ¯O hydrogen bonds. Ï-Ï contacts between the benzene rings, with centroid-to-centroid distances of 3.7765â (16), 3.7905â (15) and 3.8231â (16)â à , may further stabilize the structure. There are also weak C-Hâ¯Ï inter-actions present.
Crystal structure of catena-poly[[aqua-bis-(4-formyl-benzoato)-κ(2) O (1),O (1');κO (1)-zinc]-μ-pyrazine-κ(2) N:N'].
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作者:AÅkın Gülçin Åefiye, Ãelik Fatih, Dilek Nefise, NecefoÄlu Hacali, Hökelek Tuncer
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2015 | 起止号: | 2015 Mar 21; 71(Pt 4):402-5 |
| doi: | 10.1107/S2056989015005472 | ||
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