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Crystal Structure of the Heteroligand Complex [(2-Br-5-MePy) 2 CoCl 2 ] · (2-Br-5-MePy): Formation of Supramolecular Associates due to the Halogen Bond
Russian Journal of Coordination Chemistry ( IF 1.9 ) Pub Date : 2020-03-18 , DOI: 10.1134/s1070328420010017 S. A. Adonin , A. S. Novikov , V. P. Fedin
中文翻译:
杂配体[(2-Br-5-MePy)2 CoCl 2]·(2-Br-5-MePy)的晶体结构:由于卤素键形成超分子缔合体。
更新日期:2020-03-18
Russian Journal of Coordination Chemistry ( IF 1.9 ) Pub Date : 2020-03-18 , DOI: 10.1134/s1070328420010017 S. A. Adonin , A. S. Novikov , V. P. Fedin
Abstract
The reaction of CoCl2 with 2-bromo-5-methylpyridine (2-Br-5-MePy) in ethanol affords the het-eroligand complex [(2-Br-5-MePy)2CoCl2] · (2-Br-5-MePy) (I), the structure of which is determined by X-ray diffraction analysis (СIF file ССDС no. 1921405). Specific noncovalent interactions Cl···Br (halogen bond) are observed in the crystal structure and lead to the formation of unidimensional supramolecular polymers. The energies of these contacts are determined using quantum-chemical methods.中文翻译:
杂配体[(2-Br-5-MePy)2 CoCl 2]·(2-Br-5-MePy)的晶体结构:由于卤素键形成超分子缔合体。