2-METHYLPYRIDINIUM SALT OF PENTAIODOBENZOIC ACID

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2-METHYLPYRIDINIUM SALT OF PENTAIODOBENZOIC ACID : ROLE OF THE HALOGEN BOND IN THE FORMATION OF A CRYSTAL PACKING. / Bondarenko, M. A.; Novikov, A. S.; Chernova, K. V.; Sokolov, M. N.; Adonin, S. A.

In: Journal of Structural Chemistry, Vol. 62, No. 8, 01.08.2021, p. 1237-1242.

Research output: Contribution to journal › Article › peer-review

Author

Bondarenko, M. A. ; Novikov, A. S. ; Chernova, K. V. ; Sokolov, M. N. ; Adonin, S. A. / 2-METHYLPYRIDINIUM SALT OF PENTAIODOBENZOIC ACID : ROLE OF THE HALOGEN BOND IN THE FORMATION OF A CRYSTAL PACKING. In: Journal of Structural Chemistry. 2021 ; Vol. 62, No. 8. pp. 1237-1242.

BibTeX

@article{eed50e49dc734d45be7dccddc6030100,

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

abstract = "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.",

keywords = "carboxylic acids, crystal structure, halogen bond, noncovalent interactions, quantum chemical calculations, ANIONS, INTERPLAY, DONOR, DIIODINE, COMPLEXES, NONCOVALENT INTERACTIONS, BR, ZETA BASIS-SETS",

author = "Bondarenko, {M. A.} and Novikov, {A. S.} and Chernova, {K. V.} and Sokolov, {M. N.} and Adonin, {S. A.}",

note = "Bondarenko, M.A., Novikov, A.S., Chernova, K.V. et al. 2-METHYLPYRIDINIUM SALT OF PENTAIODOBENZOIC ACID: ROLE OF THE HALOGEN BOND IN THE FORMATION OF A CRYSTAL PACKING. J Struct Chem 62, 1237–1242 (2021). https://doi.org/10.1134/S0022476621080096",

year = "2021",

month = aug,

day = "1",

doi = "10.1134/s0022476621080096",

language = "English",

volume = "62",

pages = "1237--1242",

journal = "Journal of Structural Chemistry",

issn = "0022-4766",

publisher = "Springer Nature",

number = "8",

}

RIS

TY - JOUR

T1 - 2-METHYLPYRIDINIUM SALT OF PENTAIODOBENZOIC ACID

T2 - ROLE OF THE HALOGEN BOND IN THE FORMATION OF A CRYSTAL PACKING

AU - Bondarenko, M. A.

AU - Novikov, A. S.

AU - Chernova, K. V.

AU - Sokolov, M. N.

AU - Adonin, S. A.

N1 - Bondarenko, M.A., Novikov, A.S., Chernova, K.V. et al. 2-METHYLPYRIDINIUM SALT OF PENTAIODOBENZOIC ACID: ROLE OF THE HALOGEN BOND IN THE FORMATION OF A CRYSTAL PACKING. J Struct Chem 62, 1237–1242 (2021). https://doi.org/10.1134/S0022476621080096

PY - 2021/8/1

Y1 - 2021/8/1

N2 - 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.

AB - 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.

KW - carboxylic acids

KW - crystal structure

KW - halogen bond

KW - noncovalent interactions

KW - quantum chemical calculations

KW - ANIONS

KW - INTERPLAY

KW - DONOR

KW - DIIODINE

KW - COMPLEXES

KW - NONCOVALENT INTERACTIONS

KW - BR

KW - ZETA BASIS-SETS

UR - http://www.scopus.com/inward/record.url?scp=85115135518&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/7ce8406e-2b8f-3def-a8d6-b75af5877f73/

U2 - 10.1134/s0022476621080096

DO - 10.1134/s0022476621080096

M3 - Article

AN - SCOPUS:85115135518

VL - 62

SP - 1237

EP - 1242

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 8

ER -

ID: 86070313