Necefoğlu Hacali, Ozbek Füreya Elif, Oztürk Vijdan, Tercan Barış, Hökelek Tuncer
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):m887-8. doi: 10.1107/S1600536811020897. Epub 2011 Jun 11.
In the title Cu(II) complex, [Cu(C(7)H(4)FO(2))(2)(C(7)H(5)FO(2))(C(6)H(6)N(2)O)(2)], the Cu(II) cation is coordinated by two N atoms of two nicotinamide (NA) ligands, and by four O atoms from two 4-fluoro-benzoate (PFB) anions and one 4-fluoro-benzoic acid (PFBA) mol-ecule, in a distorted octa-hedral geometry. In the mol-ecule, two Cu-O bond lengths are significantly longer than the other two. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 11.08 (14), 7.62 (13) and 5.73 (11)°, while the benzene rings are oriented at dihedral angles of 15.62 (6), 33.71 (8) and 26.60 (8)°. In the crystal structure, extensive N-H⋯O, C-H⋯F and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between the benzene rings [centroid-to-centroid distances = 3.5517 (15), 3.8456 (14) and 3.9265 (13) Å] further stabilize the crystal structure.
在标题铜（II）配合物[Cu(C₇H₄FO₂)₂(C₇H₅FO₂)(C₆H₆N₂O)₂]中，铜（II）阳离子由两个烟酰胺（NA）配体的两个N原子以及来自两个4-氟苯甲酸根（PFB）阴离子和一个4-氟苯甲酸（PFBA）分子的四个O原子配位，呈扭曲的八面体几何构型。在该分子中，两条Cu - O键长明显长于另外两条。羧酸根基团与相邻苯环之间的二面角分别为11.08 (14)°、7.62 (13)°和5.73 (11)°，而苯环之间的二面角为15.62 (6)°、33.71 (8)°和26.60 (8)°。在晶体结构中，广泛的N - H⋯O、C - H⋯F和C - H⋯O氢键将分子连接成三维网络。苯环之间的π - π接触[质心到质心距离 = 3.5517 (15) Å、3.8456 (14) Å和3.9265 (13) Å]进一步稳定了晶体结构。
