Crystal structure and Hirshfeld surface analysis of di­chlorido­[2-(3-cyclo­pentyl-1,2,4-triazol-5-yl-κN4)pyridine-κN]palladium(II) di­methyl­formamide monosolvate

Viktoriya V. Dyakonenko , Dmytro M. Khomenko , Roman O. Doroshchuk , Ganna V. Ivanova , Rostyslav D. Lampeka
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Abstract

The crystal structure of mononuclear di­chlorido­palladium(II) complex with 2-(3-cyclo­pentyl-1,2,4-triazol-5-yl)pyridine is reported and discussed.

This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl2(C12H14N4)]·C3H7NO. The compound crystalizes in the P21/c space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(HLc-Pe)Cl2 [HLc-Pe is 2-(3-cyclo­pentyl-1,2,4-triazol-5-yl)pyridine] and one mol­ecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to the bc plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N⋯H/H⋯N and H⋯O/O⋯H inter­actions is somewhat smaller, amounting to 12.4% and 5%, respectively.

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二氯[2-(3-环戊基-1,2,4-三唑-5-基-κN4)吡啶-κN]钯(II)二甲基甲酰胺单溶胶的晶体结构和希尔施菲尔德表面分析
本研究报道并讨论了 2-(3-环戊基-1,2,4-三唑-5-基)吡啶单核二氯化钯(II)配合物的晶体结构。本研究介绍了标题为[PdCl2(C12H14N4)]-C3H7NO 的单核配合物的合成、表征和 Hirshfeld 表面分析。该化合物在单斜系统的 P21/c 空间群中形成晶体。不对称单元包含一个中性络合物 Pd(HLc-Pe)Cl2 [HLc-Pe 是 2-(3-环戊基-1,2,4-三唑-5-基)吡啶]和一分子 DMF 溶剂。钯原子具有正方形配位。在晶体中,分子通过分子间 N-H⋯O 和 C-H⋯N 氢键相连,形成平行于 bc 平面的层。Hirshfeld 表面分析表明,H⋯H 接触在晶体堆积中占主导地位,占 41.4%。N⋯H/H⋯N和H⋯O/O⋯H相互作用的贡献略小,分别为12.4%和5%。
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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