2-METHYLPYRIDINIUM SALT OF PENTAIODOBENZOIC ACID: ROLE OF THE HALOGEN BOND IN THE FORMATION OF A CRYSTAL PACKING

被引：0
作者：
Bondarenko, M. A. [1 ]
Novikov, A. S. [2 ]
Chernova, K. V. [4 ]
Sokolov, M. N. [1 ,3 ]
Adonin, S. A. [1 ]
机构：
[1] Russian Acad Sci, Nikolaev Inst Inorgan Chem, Siberian Branch, Novosibirsk, Russia
[2] St Petersburg State Univ, St Petersburg, Russia
[3] Kazan Volga Reg Fed Univ, Butlerov Inst Chem, Kazan, Russia
[4] Irkutsk Natl Res Tech Univ, Irkutsk, Russia
来源：
JOURNAL OF STRUCTURAL CHEMISTRY | 2021年 / 62卷 / 08期
关键词：
carboxylic acids; halogen bond; noncovalent interactions; quantum chemical calculations; crystal structure; ZETA BASIS-SETS; NONCOVALENT INTERACTIONS; COMPLEXES; DONOR; INTERPLAY; DIIODINE; ANIONS; BR;
D O I：
10.1134/S0022476621080096
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
In the reaction of pentaiodobenzoic acid (PIBA) and 2-methylpyridine in N,N '-dimethylformamide (2-MePyH)PIBA center dot DMF salt (1) is formed, whose structure is studied by X-ray crystallography. The structure of 1 contains noncovalent interactions of the IMIDLINE HORIZONTAL ELLIPSISO type of the halogen bond, whose energies are estimated by quantum chemical calculations.
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页码：1237 / 1242
页数：6
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