Liu Wei, Li Xia
Department of Chemistry and Chemical Engineering, Henan University of Urban Construction, Pingdingshan, Henan 467044, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1109-10. doi: 10.1107/S1600536812029856. Epub 2012 Jul 25.
In the title compound, [Co(C(13)H(10)N(4)O(8))(C(5)H(5)N)(H(2)O)]·C(10)H(8)N(2), the asymmetric unit comprises half a Co(II) complex located on a mirror plane and half a cocrystallized mol-ecule of 4,4'-bipyridine located on an inversion center. The Co(II) ion is six coordinate, with distorted octa-hedral geometry, ligated by two N atoms and two O atoms from a 2,2'-(propane-1,3-di-yl)bis-(5-carboxy-1H-imidazole-4-carboxyl-ate) dianion, one N atom from a pyridine mol-ecule and one coordinating water mol-ecule. The Co-O bond lengths range from 2.076 (2) to 2.1441 (15) Å, while the Co-N bond lengths are 2.138 (3) and 2.1515 (17) Å. A two-dimensional network of N-H⋯O and O-H⋯N hydrogen bonds stabilizes the crystal packing. There are π-π inter-actions between the bipyridine and imidazole rings [centroid-centroid distance = 3.7694 (4) Å]. The propane-1,3-diyl group is disordered over two conformations, with refined occupancies of 0.755 (8) and 0.245 (8).
在标题化合物[Co(C₁₃H₁₀N₄O₈)(C₅H₅N)(H₂O)]·C₁₀H₈N₂中,不对称单元包括位于镜面的半个Co(II)配合物和位于对称中心的半个共结晶的4,4'-联吡啶分子。Co(II)离子为六配位,具有扭曲的八面体几何构型,由2,2'-(丙烷-1,3-二基)双-(5-羧基-1H-咪唑-4-羧酸盐)二价阴离子的两个N原子和两个O原子、一个吡啶分子的N原子以及一个配位水分子配位。Co—O键长范围为2.076(2)至2.1441(15) Å,而Co—N键长为2.138(3)和2.1515(17) Å。N—H⋯O和O—H⋯N氢键的二维网络稳定了晶体堆积。联吡啶环和咪唑环之间存在π-π相互作用[质心-质心距离 = 3.7694(4) Å]。丙烷-1,3-二基在两种构象上无序,精修占有率分别为0.755(8)和0.245(8)。