Aşkın Gülçin Şefiye, Necefoğlu Hacali, Özkaya Safiye, Çatak Çelik Raziye, Hökelek Tuncer
Department of Physics, Hacettepe University, 06800 Beytepe, Ankara, Turkey.
Department of Chemistry, Kafkas University, 36100 Kars, Turkey, International Scientific Research Centre, Baku State University, 1148 Baku, Azerbaijan.
Acta Crystallogr E Crystallogr Commun. 2016 Mar 15;72(Pt 4):498-501. doi: 10.1107/S2056989016004059. eCollection 2016 Apr 1.
The centrosymmetric mol-ecule in the monomeric title cobalt complex, [Co(C10H11O2)2(C10H14N2O)2(H2O)2], contains two water mol-ecules, two 2,4,6-tri-methyl-benzoate (TMB) ligands and two di-ethyl-nicotinamide (DENA) ligands. All ligands coordinate to the Co(II) atom in a monodentate fashion. The four O atoms around the Co(II) atom form a slightly distorted square-planar arrangement, with the distorted octa-hedral coordination sphere completed by two pyridine N atoms of the DENA ligands. The dihedral angle between the planar carboxyl-ate group and the adjacent benzene ring is 84.2 (4)°, while the benzene and pyridine rings are oriented at a dihedral angle of 38.87 (10)°. The water mol-ecules exhibit both intra-molecular (to the non-coordinating carboxyl-ate O atom) and inter-molecular (to the amide carbonyl O atom) O-H⋯O hydrogen bonds. The latter lead to the formation of layers parallel to (100), enclosing R 4 (4)(32) ring motifs. These layers are further linked via weak C-H⋯O hydrogen bonds, resulting in a three-dimensional network. One of the two ethyl groups of the DENA ligand is disordered over two sets of sites with an occupancy ratio of 0.490 (13):0.510 (13).
在单体标题钴配合物[Co(C₁₀H₁₁O₂)₂(C₁₀H₁₄N₂O)₂(H₂O)₂]中，中心对称分子包含两个水分子、两个2,4,6-三甲基苯甲酸酯（TMB）配体和两个二乙烟酰胺（DENA）配体。所有配体均以单齿方式与Co(II)原子配位。Co(II)原子周围的四个O原子形成略微扭曲的平面正方形排列，由DENA配体的两个吡啶N原子完成扭曲的八面体配位球。平面羧酸根基团与相邻苯环之间的二面角为84.2 (4)°，而苯环和吡啶环的取向二面角为38.87 (10)°。水分子表现出分子内（与非配位羧酸根O原子）和分子间（与酰胺羰基O原子）的O-H⋯O氢键。后者导致形成与(100)平行的层，包围R 4 (4)(32)环 motif。这些层通过弱C-H⋯O氢键进一步连接，形成三维网络。DENA配体的两个乙基之一在两组位点上无序，占有率为0.490 (13):0.510 (13)。
