Arunkashi H K, Jeyaseelan S, Vepuri Suresh Babu, Revanasiddappa H D, Devarajegowda H C
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 16;66(Pt 7):m772-3. doi: 10.1107/S1600536810021367.
The asymmetric unit of the title salt, (C(16)H(20)N(3)S)(2)[Co(NCS)(4)], comprises one monovalent isothio-pendylium cation and one-half of a divalent thio-cyanatocobaltate(II) anion (2 symmetry). The central thia-zine ring of the cation is slightly twisted in a boat-like fashion, with r.m.s. deviations from the mean plane of 0.272 (1) and 0.2852 (8) Å for the N and S atoms. The mol-ecular structure of the cation is stabilized by an intra-molecular N-H⋯N hydrogen bond. Within the complex anion, the Co(II) atom is tetra-hedrally surrounded by four N atoms of the thio-cyanate ligands. π-π stacking, with a distance of 3.7615 (10) Å between the centroids of benzene and pyridine rings, helps to consolidate the packing.
标题盐(C₁₆H₂₀N₃S)₂[Co(NCS)₄]的不对称单元包含一个单价异硫氰酸根阳离子和一个二价硫氰酸钴(II)阴离子的一半(具有2重对称性)。阳离子的中心噻嗪环以船型方式轻微扭曲,N和S原子相对于平均平面的均方根偏差分别为0.272(1)Å和0.2852(8)Å。阳离子的分子结构通过分子内N-H⋯N氢键得以稳定。在复合阴离子中,Co(II)原子被硫氰酸根配体的四个N原子四面体包围。苯环和吡啶环质心之间的距离为3.7615(10)Å的π-π堆积有助于巩固堆积结构。