二氯双(3,5-二甲基-4-氨基-1 -吡唑)钴的合成、x射线晶体结构、光谱表征及表面分析

Y. Davydenko, V. Pavlenko, I. Fritsky, O. Vynohradov
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摘要

报道了3,5-二甲基-4-氨基- 1h -吡唑单核Co(II)配合物的合成和表征。描述了配合物的红外光谱和紫外/可见光谱表征。报道了3,5-二甲基-4-氨基- 1h -吡唑的合成、红外光谱、核磁共振光谱和元素分析结果。[Co(C5H9N3)2Cl2]配合物的x射线分析表明,钴原子具有由两个属于两个3,5-二甲基-4-氨基- 1h -吡唑配体的氮原子[Co1-N1 = 2.005(3)和Co1-N5 = 2.006(3)Å]和两个氯原子[Co1-Cl2 = 2.2400(11)和Co1-Cl1 2.2863(12) Å]组成的四面体配位环境。在晶体结构中,分子通过分子间(N - h··N, N - h··Cl)和分子内非经典(С-H··Cl)氢键连接。分子间接触的Hirshfeld表面分析表明,H··H(47.1%)和H··Cl/Cl··H(28.5%)接触对晶体堆积的影响最大。
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SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II)
The synthesis and characterization of mononuclear Co(II) complex based on 3,5-dimethyl-4-amino-1H-pyrazole are reported. IR and UV/Vis spectroscopy characterization of the complex are described. The synthesis, results of IR, NMR spectroscopy and elemental analysis of 3,5-dimethyl-4-amino-1H-pyrazole are also reported. X-ray analysis of [Co(C5H9N3)2Cl2] complex reveals that the cobalt atom has a tetrahedral coordination environment formed by two nitrogen atoms belonging to the two 3,5-dimethyl-4-amino-1H-pyrazole ligands [Co1–N1 = 2.005(3) and Co1–N5 = 2.006(3)Å] and two chlorine atoms [Co1–Cl2 = 2.2400(11) and Co1–Cl1 2.2863(12) Å]. In the crystal structure the molecules are linked through intermolecular (N–H···N, N–H···Cl) and intramolecular non-classical (С–H···Cl) hydrogen bonds. Hirshfeld surface analysis of the intermolecular contacts reveals that the most important contributions for the crystal packing are from H···H (47.1%) and H···Cl/Cl···H (28.5%) contacts.
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