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An unusual partial occupancy of labile chloride and aqua ligands in cocrystallized isomers of a nickel(II) complex bearing a tripodal N4-donor ligand.
Acta Crystallographica Section C ( IF 0.8 ) Pub Date : 2020-01-01 , DOI: 10.1107/s2053229619015705 Diego da S Padilha 1 , Adailton J Bortoluzzi 2 , Marciela Scarpellini 1
Acta Crystallographica Section C ( IF 0.8 ) Pub Date : 2020-01-01 , DOI: 10.1107/s2053229619015705 Diego da S Padilha 1 , Adailton J Bortoluzzi 2 , Marciela Scarpellini 1
Affiliation
A novel Ni2+ complex with the N4-donor tripodal ligand bis[(1-methyl-1H-imidazol-2-yl)methyl][2-(pyridin-2-yl)ethyl]amine (L), namely, aqua{bis[(1-methyl-1H-imidazol-2-yl-κN3)methyl][2-(pyridin-2-yl-κN)ethyl]amine-κN}chloridonickel(II) perchlorate, [NiCl(C17H22N6)(H2O)]ClO4 or [NiCl(H2O)(L)Cl]ClO4 (1), was synthesized and characterized by spectroscopic and spectrometric methods. The crystal structure of 1 reveals an interesting and unusual cocrystallization of isomeric complexes, which are crystallographically disordered with partial occupancy of the labile cis aqua and chloride ligands. The Ni2+ centre exhibits a distorted octahedral environment, with similar bond lengths for the two Ni-N(imidazole) bonds. The bond length increases for Ni-N(pyridine) and Ni-N(amine), which is in agreement with literature examples. The bond lengths of the disordered labile sites are also in the expected range and the Ni-Cl and Ni-O bond lengths are comparable with similar compounds. The electronic, redox and solution stability behaviour of 1 were also evaluated, and the data obtained suggest the maintenance of structural integrity, with no sign of demetalation or decomposition under the studied conditions.
中文翻译:
带有三脚架N4-供体配体的镍(II)配合物的共结晶异构体中的不稳定氯化物和水配体的不寻常部分占有。
一种具有N4-供体三足配体双[(1-甲基-1H-咪唑-2-基)甲基] [2-(吡啶-2-基)乙基]胺(L)的新型Ni2 +配合物,即aqua {bis [(1-甲基-1H-咪唑-2-基-κN3)甲基] [2-(吡啶-2-基-κN)乙基]胺-κN}高氯酸二氯噻吩(II),[NiCl(C17H22N6)(H2O)合成了[ClCl4]或[NiCl(H2O)(L)Cl] ClO4(1),并通过光谱和光谱法对其进行了表征。1的晶体结构揭示了一种有趣且异常的同分异构体共结晶,其晶体学上由于不稳定的顺式水和氯化物配体的部分占有而无序。Ni2 +中心展现出扭曲的八面体环境,两个Ni-N(咪唑)键的键长相似。Ni-N(吡啶)和Ni-N(胺)的键长增加,这与文献实例一致。无序不稳定位点的键长也在预期范围内,Ni-Cl和Ni-O键长可与类似化合物相比。还评估了1的电子,氧化还原和溶液稳定性行为,获得的数据表明,在研究的条件下,结构完整性得以保持,没有出现脱金属或分解的迹象。
更新日期:2020-01-01
中文翻译:
带有三脚架N4-供体配体的镍(II)配合物的共结晶异构体中的不稳定氯化物和水配体的不寻常部分占有。
一种具有N4-供体三足配体双[(1-甲基-1H-咪唑-2-基)甲基] [2-(吡啶-2-基)乙基]胺(L)的新型Ni2 +配合物,即aqua {bis [(1-甲基-1H-咪唑-2-基-κN3)甲基] [2-(吡啶-2-基-κN)乙基]胺-κN}高氯酸二氯噻吩(II),[NiCl(C17H22N6)(H2O)合成了[ClCl4]或[NiCl(H2O)(L)Cl] ClO4(1),并通过光谱和光谱法对其进行了表征。1的晶体结构揭示了一种有趣且异常的同分异构体共结晶,其晶体学上由于不稳定的顺式水和氯化物配体的部分占有而无序。Ni2 +中心展现出扭曲的八面体环境,两个Ni-N(咪唑)键的键长相似。Ni-N(吡啶)和Ni-N(胺)的键长增加,这与文献实例一致。无序不稳定位点的键长也在预期范围内,Ni-Cl和Ni-O键长可与类似化合物相比。还评估了1的电子,氧化还原和溶液稳定性行为,获得的数据表明,在研究的条件下,结构完整性得以保持,没有出现脱金属或分解的迹象。