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catena Poly aquabis 4 formylbenzoato k2O1 O1 cadmium mu pyrazine k2N N       
Yazarlar
Fatih Çelik
Kafkas Üniversitesi, Turkey
Nefise Dilek
Aksaray Üniversitesi, Turkey
Nagihan Çaylak Delibaş
Sakarya Üniversitesi, Turkey
Prof. Dr. Hacali NECEFOĞLU Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
Tuncer Hökelek
Hacettepe Üniversitesi, Turkey
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 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 - Hπ interaction present. © Çelik et al. 2014.
Anahtar Kelimeler
data-to-parameter ratio = 12.5 | disorder in main residue | mean σ(C-C) = 0.011 Å | R factor = 0.059 | single-crystal X-ray study | T = 294 K | wR factor = 0.144
Makale Türü Özgün Makale
Makale Alt Türü ESCI dergilerinde yayımlanan tam makale
Dergi Adı ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
Dergi ISSN 2056-9890
Dergi Tarandığı Indeksler Scopus, Thomson Reuters Emerging Sources Citation Index
Makale Dili İngilizce
Basım Tarihi 02-2014
Cilt No 70
Sayı 2
Doi Numarası 10.1107/S1600536813035010
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
WoS 2
SCOPUS 2
catena Poly aquabis 4 formylbenzoato k2O1 O1 cadmium mu pyrazine k2N N

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