Selby-Karney Troy, Sampath Kalpana, Arumugam Kuppuswamy, Chandrasekaran Chandru P
Department of Chemistry and Biochemistry Lamar University, 4400 MLK Blvd Beaumont Texas 77710 USA.
Department of Chemistry, Wright State University, 3640 Colonel Glenn Hwy., Dayton, OH 45435, USA.
Acta Crystallogr E Crystallogr Commun. 2024 Oct 8;80(Pt 11):1142-1145. doi: 10.1107/S205698902400937X. eCollection 2024 Oct 1.
The mercury(II) halide complex [1,3-di--butyl-2,4-bis-(-butyl-amino)-1,3,2λ,4λ-di-aza-diphosphetidine-2,4-diselone-κ ,']di-iodido-mercury(II),-di-methyl-formamide monosolvate, [HgI(CHNPSe)]·CHNO or ()HgI, , containing -[( BuNH)(Se)P(μ-N Bu)P(Se)(NH Bu)] () was synthesized and structurally characterized. The crystal structure of confirms the chelation of chalcogen donors to HgI with a natural bite angle of 112.95 (2)°. The coordination geometry around mercury is distorted tetra-hedral as indicated by the τ geometry index parameter (τ = 0.90). In the mercury complex, the exocyclic -butyl-amido substituents are arranged in an () fashion, whereas in the free ligand (), the exocyclic substituents are arranged in an () pattern. Compound displays non-classical N-H⋯O hydrogen-bonding inter-actions with the solvent ,-di-methyl-formamide. These inter-actions may introduce geometrical distortion and deviation from an ideal geometry. An isostructural HgBr analogue containing -[( BuNH)(S)P(μ-N Bu)P(S)(NH Bu)] was also synthesized and structurally characterized, CIF data for the compound being presented as supporting information.
卤化汞（II）配合物[1,3 - 二 - 叔丁基 - 2,4 - 双 - （叔丁基氨基） - 1,3,2λ⁵,4λ⁵ - 二氮杂 - 二磷杂环丁烷 - 2,4 - 二硒酮 - κ²,κ⁴']二碘化汞（II） - 二甲基甲酰胺单溶剂合物，[HgI₂(CHNPSe₂)]·CH₃NO或（I）HgI₂，含有 - [(t - BuNH)(Se)P(μ - Nt - Bu)P(Se)(NHt - Bu)]²⁺已被合成并进行了结构表征。其晶体结构证实了硫属供体与HgI₂的螯合作用，自然咬角为112.95 (2)°。如τ几何指数参数（τ = 0.90）所示，汞周围的配位几何形状为扭曲四面体。在汞配合物中，环外叔丁基氨基取代基以（R，R）方式排列，而在游离配体（L）中，环外取代基以（S，S）模式排列。化合物（I）与溶剂二甲基甲酰胺显示出非经典的N - H⋯O氢键相互作用。这些相互作用可能会引入几何畸变并偏离理想几何形状。还合成并表征了含有 - [(t - BuNH)(S)P(μ - Nt - Bu)P(S)(NHt - Bu)]²⁺的等结构HgBr类似物，该化合物的CIF数据作为支持信息给出。
