Catena-Poly[[aquabis(4-formylbenzoato-K 2 O 1 ,O 1' )cadmium]-µ-pyrazine-K 2 N:N']
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Dosyalar
Tarih
2014
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
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 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.
Açıklama
Anahtar Kelimeler
Data-to-Parameter Ratio = 12.5, Disorder in Main Residue, Mean ?(C-C) = 0.011 Å, R Factor = 0.059, Single-Crystal X-Ray Study, T = 294 K, wR Factor = 0.144
Kaynak
Acta Crystallographica Section E: Structure Reports Online
WoS Q Değeri
Scopus Q Değeri
N/A
Cilt
70
Sayı
2
