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• W2291697511 abstract "The polymeric title compound, [Cd(C 8 H 5 O 3 ) 2 (C 4 H 4 N 2 )(H 2 O)] 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 Cd II cations, forming polymeric chains running along the b -axis direction. In the crystal, O—H water ... O carboxylate hydrogen bonds link adjacent chains into layers parallel to the bc plane. These layers are linked via C—H pyrazine ... O formyl 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." @default.
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• W2291697511 date "2014-01-11" @default.
• W2291697511 modified "2023-10-16" @default.
• W2291697511 title "<i>catena</i>-Poly[[aquabis(4-formylbenzoato-κ²<i>O</i>¹,<i>O</i>^1′)cadmium]-μ-pyrazine-κ²<i>N</i>:<i>N</i>′]" @default.
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• W2291697511 doi "https://doi.org/10.1107/s1600536813035010" @default.
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