双{4-甲基苄基 2-[4-(丙烷-2-基)苄基亚甲基]肼基二硫代甲酸酯-κ,}镍(II)：晶体结构和 Hirshfeld 表面分析。
Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzyl-idene]hydrazine-carbodi-thio-ato-κ,}nickel(II): crystal structure and Hirshfeld surface analysis.
作者信息
Yusof Enis Nadia Md, Ravoof Thahira B S A, Tahir Mohamed I M, Jotani Mukesh M, Tiekink Edward R T
机构信息
Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400, UPM Serdang, Selangor Darul Ehsan, Malaysia.
Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380001, India.
出版信息
Acta Crystallogr E Crystallogr Commun. 2017 Feb 17;73(Pt 3):397-402. doi: 10.1107/S2056989017002419. eCollection 2017 Mar 1.
The complete mol-ecule of the title hydrazine carbodi-thio-ate complex, [Ni(CHNS)], is generated by the application of a centre of inversion. The Ni atom is ,-chelated by two hydrazinecarbodi-thio-ate ligands, which provide a -NS donor set that defines a distorted square-planar geometry. The conformation of the five-membered chelate ring is an envelope with the Ni atom being the flap atom. In the crystal, -tolyl-C-H⋯π(benzene- Pr), Pr-C-H⋯π(-tol-yl) and π-π inter-actions [between -tolyl rings with inter-centroid distance = 3.8051 (12) Å] help to consolidate the three-dimensional architecture. The analysis of the Hirshfeld surface confirms the importance of H-atom contacts in establishing the packing.
标题为肼基二硫代甲酸酯配合物[Ni(CHNS)]的完整分子通过倒转中心生成。镍原子由两个肼基二硫代甲酸酯配体进行螯合，这些配体提供了一个 -NS 供体集，确定了一个扭曲的平面正方形几何结构。五元螯合环的构象为信封式，镍原子为瓣原子。在晶体中，-甲苯基-C-H⋯π(苯 - Pr)、Pr-C-H⋯π(-甲苯基)和 π-π 相互作用（-甲苯基环之间质心间距 = 3.8051 (12) Å）有助于巩固三维结构。对 Hirshfeld 表面的分析证实了 H 原子接触在建立堆积中的重要性。
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