Catena-Poly[[aquabis(4-formylbenzoato-K 2 O 1 ,O 1' )cadmium]-µ-pyrazine-K 2 N:N']

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dc.contributor.authorÇelik, Fatih
dc.contributor.authorDilek, Nefise
dc.contributor.authorÇaylak Delibaş, Nagihan
dc.contributor.authorNecefoglu, Hacali
dc.contributor.authorHökelek, Tuncer
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T08:22:27Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T08:22:27Z
dc.date.issued2014
dc.departmentSabire Yazıcı Fen Edebşyat Fakültesi
dc.description.abstractThe 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 Cd II 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. ?-? interactions [centroid-centroid distances = 3.870(11)-3.951(5)Å] further stabilize the crystal structure. There is also a weak C - H? interaction present. © Çelik et al. 2014.
dc.identifier.doi10.1107/S1600536813035010
dc.identifier.endpage38en_US
dc.identifier.issn1600-5368
dc.identifier.issue2en_US
dc.identifier.scopusqualityN/A
dc.identifier.startpage37en_US
dc.identifier.urihttps://dx.doi.org/10.1107/S1600536813035010
dc.identifier.urihttps://hdl.handle.net/20.500.12451/2563
dc.identifier.volume70en_US
dc.indekslendigikaynakScopus
dc.language.isoen
dc.relation.ispartofActa Crystallographica Section E: Structure Reports Online
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectData-to-Parameter Ratio = 12.5
dc.subjectDisorder in Main Residue
dc.subjectMean ?(C-C) = 0.011 Å
dc.subjectR Factor = 0.059
dc.subjectSingle-Crystal X-Ray Study
dc.subjectT = 294 K
dc.subjectwR Factor = 0.144
dc.titleCatena-Poly[[aquabis(4-formylbenzoato-K 2 O 1 ,O 1' )cadmium]-µ-pyrazine-K 2 N:N']
dc.typeArticle

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