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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of bis­[(phenyl­methanamine-κN)(phthalocyaninato-κ4N)zinc] phenyl­methan­amine tris­olvate
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Crystal structure of bis­[(phenyl­methanamine-κN)(phthalocyaninato-κ4N)zinc] phenyl­methan­amine tris­olvate

机译:双[(苯甲胺-κN)(酞菁-κ4N)锌]苯甲胺三溶剂合物的晶体结构

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The asymmetric unit of the title compound, 2[Zn(C32H16N8)(C7H9N)]·3C7H9N, comprises two independent complex mol­ecules and three benzyl­amine solvent mol­ecules. Each complex mol­ecule features a penta­coordinated Zn2+ ion within a square-pyramidal geometry, whereby the N5 donor set is defined by four atoms of the phthalocyaninate dianion (PC) and an N-bound benzyl­amine mol­ecule; it is the relative orientations of the latter that differentiate between the independent complex mol­ecules. The uncoordinated benzyl­amine mol­ecules display different conformations in the structure, with syn-Car—Car—Cm—N (ar = aromatic, m = methyl­ene) torsion angles spanning the range −28.7 (10) to 35.1 (14)°. In the crystal, N—H⋯N and N—H⋯π inter­actions lead to supra­molecular layers in the ab plane. The layers have a zigzag topology, have the coordinating and non-coordinating benzyl­amine mol­ecules directed to the inside, and present the essentially flat PC resides to the outside. This arrangement enables adjacent layers to associate via π–π inter­actions [inter-centroid distance between pyrrolyl and fused-benzene rings = 3.593 (2) Å] so that a three-dimensional architecture is formed.
机译:标题化合物的不对称单元2 [Zn(C32H16N8)(C7H9N)]·3C7H9N包含两个独立的配合物分子和三个苄胺溶剂分子。每个络合物分子在方形金字塔形几何结构中均具有五配位的Zn2 +离子,其中N5供体组由酞菁二价阴离子(PC)的四个原子和N键合的苄胺分子定义;后者的相对方向在独立的复杂分子之间进行区分。未配位的苄胺分子在结构上显示出不同的构象,顺-Car-Car-Cm-N(ar =芳香族,m =亚甲基)扭转角范围为-28.7(10)至35.1(14)°。在晶体中,NH-N和NH-π相互作用导致ab平面上的超分子层。这些层具有锯齿形的拓扑结构,具有指向内部的配位和非配位苄胺分子,并且呈现出基本上平坦的PC位于外部。这种布置使相邻的层可以通过π-π相互作用[吡咯基和稠合苯环之间的质心间距= 3.593(2)Å]关联,从而形成三维结构。

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