Svajlenová Olga, Vanco Ján, Marek Jaromír
Department of Chemical Theory of Drugs, Faculty of Pharmacy, Comenius University, Kalinciakova 8, 832 32 Bratislava, Slovakia.
Acta Crystallogr C. 2004 Jun;60(Pt 6):m275-7. doi: 10.1107/S0108270104008030. Epub 2004 May 22.
Crystals of the title compound, [Cu(2)(C(10)H(9)NO(3))(2)(H(2)O)(2)].2CH(4)N(2)O, consist of two (N-salicylidene-beta-alaninato-kappa(3)O,N,O')copper(II) coordination units bridged by two water moieties to form a dimer residing on a crystallographic inversion center, along with two uncoordinated urea molecules. The Cu(II) atom has square-pyramidal coordination, with three donor atoms of the tridentate Schiff base and an O atom of the bridging aqua ligand in the basal plane. The axial position is occupied by the second bridging water ligand at a distance of 2.5941 (18) A. Hydrogen bonds between molecules of urea and the neighboring dimer units lead to the formation of a two-dimensional grid of molecules parallel to [101]. The superposition of the normals of the pyramidal base planes in the direction [100] indicates possible pi-pi interactions between the neighboring units.
标题化合物[Cu₂(C₁₀H₉NO₃)₂(H₂O)₂]·2CH₄N₂O的晶体由两个通过两个水分子桥连形成位于晶体学反演中心的二聚体的(N-水杨醛-β-丙氨酸根-κ³O,N,O')铜(II)配位单元以及两个未配位的尿素分子组成。铜(II)原子具有四方锥配位,在基面中有三齿席夫碱的三个供体原子和桥连水合配体的一个氧原子。轴向位置由第二个桥连水配体占据,距离为2.5941(18)Å。尿素分子与相邻二聚体单元之间的氢键导致形成平行于[101]的二维分子网格。在[100]方向上棱锥底面法线的叠加表明相邻单元之间可能存在π-π相互作用。