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Synthesis , X-ray and DFT studies of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones. / Бабушкина, Анастасия Андреевна; Михайлов, Владимир Николаевич; Новиков, Александр Сергеевич; Сорокоумов, Виктор Николаевич; Гуреев, Максим Александрович; Крюкова, Мария Александровна; Шпаков, Александр Олегович; Балова, Ирина Анатольевна.

In: Chemistry of Heterocyclic Compounds, Vol. 58, No. 8/9, 04.10.2022, p. 432-437.

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

Harvard

Бабушкина, АА, Михайлов, ВН, Новиков, АС, Сорокоумов, ВН, Гуреев, МА, Крюкова, МА, Шпаков, АО & Балова, ИА 2022, 'Synthesis , X-ray and DFT studies of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones', Chemistry of Heterocyclic Compounds, vol. 58, no. 8/9, pp. 432-437. https://doi.org/10.1007/s10593-022-03109-3

APA

Бабушкина, А. А., Михайлов, В. Н., Новиков, А. С., Сорокоумов, В. Н., Гуреев, М. А., Крюкова, М. А., Шпаков, А. О., & Балова, И. А. (2022). Synthesis , X-ray and DFT studies of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones. Chemistry of Heterocyclic Compounds, 58(8/9), 432-437. https://doi.org/10.1007/s10593-022-03109-3

Vancouver

Бабушкина АА, Михайлов ВН, Новиков АС, Сорокоумов ВН, Гуреев МА, Крюкова МА et al. Synthesis , X-ray and DFT studies of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones. Chemistry of Heterocyclic Compounds. 2022 Oct 4;58(8/9):432-437. https://doi.org/10.1007/s10593-022-03109-3

Author

Бабушкина, Анастасия Андреевна ; Михайлов, Владимир Николаевич ; Новиков, Александр Сергеевич ; Сорокоумов, Виктор Николаевич ; Гуреев, Максим Александрович ; Крюкова, Мария Александровна ; Шпаков, Александр Олегович ; Балова, Ирина Анатольевна. / Synthesis , X-ray and DFT studies of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones. In: Chemistry of Heterocyclic Compounds. 2022 ; Vol. 58, No. 8/9. pp. 432-437.

BibTeX

@article{87718a27c86447b3a566db51ddb62222,
title = "Synthesis , X-ray and DFT studies of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones",
abstract = "The Richter cyclization was used for the synthesis of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones. X-ray analysis revealed that these compounds exist as dimers in their crystal state, wherein two molecules are linked by intermolecular double and bifurcated hydrogen bonds that can explain their low solubility. Theoretical study of bifurcated hydrogen bonds responsible for the dimerization was carried out by DFT calculations as well as by topological analysis of the electron density distribution within the framework of Bader's theory.",
author = "Бабушкина, {Анастасия Андреевна} and Михайлов, {Владимир Николаевич} and Новиков, {Александр Сергеевич} and Сорокоумов, {Виктор Николаевич} and Гуреев, {Максим Александрович} and Крюкова, {Мария Александровна} and Шпаков, {Александр Олегович} and Балова, {Ирина Анатольевна}",
year = "2022",
month = oct,
day = "4",
doi = "10.1007/s10593-022-03109-3",
language = "English",
volume = "58",
pages = "432--437",
journal = "Chemistry of Heterocyclic Compounds",
issn = "0009-3122",
publisher = "Springer Nature",
number = "8/9",

}

RIS

TY - JOUR

T1 - Synthesis , X-ray and DFT studies of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones

AU - Бабушкина, Анастасия Андреевна

AU - Михайлов, Владимир Николаевич

AU - Новиков, Александр Сергеевич

AU - Сорокоумов, Виктор Николаевич

AU - Гуреев, Максим Александрович

AU - Крюкова, Мария Александровна

AU - Шпаков, Александр Олегович

AU - Балова, Ирина Анатольевна

PY - 2022/10/4

Y1 - 2022/10/4

N2 - The Richter cyclization was used for the synthesis of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones. X-ray analysis revealed that these compounds exist as dimers in their crystal state, wherein two molecules are linked by intermolecular double and bifurcated hydrogen bonds that can explain their low solubility. Theoretical study of bifurcated hydrogen bonds responsible for the dimerization was carried out by DFT calculations as well as by topological analysis of the electron density distribution within the framework of Bader's theory.

AB - The Richter cyclization was used for the synthesis of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones. X-ray analysis revealed that these compounds exist as dimers in their crystal state, wherein two molecules are linked by intermolecular double and bifurcated hydrogen bonds that can explain their low solubility. Theoretical study of bifurcated hydrogen bonds responsible for the dimerization was carried out by DFT calculations as well as by topological analysis of the electron density distribution within the framework of Bader's theory.

UR - https://www.mendeley.com/catalogue/e1352f76-19c1-3afa-822e-9cb7fe1bfab0/

U2 - 10.1007/s10593-022-03109-3

DO - 10.1007/s10593-022-03109-3

M3 - Article

VL - 58

SP - 432

EP - 437

JO - Chemistry of Heterocyclic Compounds

JF - Chemistry of Heterocyclic Compounds

SN - 0009-3122

IS - 8/9

ER -

ID: 99109229