| Yazarlar |
Fatih Çelik
Kafkas Üniversitesi, Turkey |
|
Nefise Dilek
Aksaray Üniversitesi, Turkey |
|
Nagihan Çaylak Delibaş
Sakarya Üniversitesi, Turkey |
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 |
| Atıf Sayıları | |
| WoS | 2 |
| SCOPUS | 2 |
