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Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions. / Temesgen, Ayalew W.; Tskhovrebov, Alexander G.; Artemjev, Alexey A.; Kubasov, Alexey S.; Novikov, Alexander S.; Borisov, Alexander V.; Kirichuk, Anatoly A.; Kritchenkov, Andreii S.; Le, Tuan Anh.

In: Acta Crystallographica Section E Crystallographic Communications, Vol. 80, No. 10, 17.09.2024, p. 1024-1028.

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

Harvard

Temesgen, AW, Tskhovrebov, AG, Artemjev, AA, Kubasov, AS, Novikov, AS, Borisov, AV, Kirichuk, AA, Kritchenkov, AS & Le, TA 2024, 'Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions', Acta Crystallographica Section E Crystallographic Communications, vol. 80, no. 10, pp. 1024-1028. https://doi.org/10.1107/s2056989024008831

APA

Temesgen, A. W., Tskhovrebov, A. G., Artemjev, A. A., Kubasov, A. S., Novikov, A. S., Borisov, A. V., Kirichuk, A. A., Kritchenkov, A. S., & Le, T. A. (2024). Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions. Acta Crystallographica Section E Crystallographic Communications, 80(10), 1024-1028. https://doi.org/10.1107/s2056989024008831

Vancouver

Temesgen AW, Tskhovrebov AG, Artemjev AA, Kubasov AS, Novikov AS, Borisov AV et al. Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions. Acta Crystallographica Section E Crystallographic Communications. 2024 Sep 17;80(10):1024-1028. https://doi.org/10.1107/s2056989024008831

Author

Temesgen, Ayalew W. ; Tskhovrebov, Alexander G. ; Artemjev, Alexey A. ; Kubasov, Alexey S. ; Novikov, Alexander S. ; Borisov, Alexander V. ; Kirichuk, Anatoly A. ; Kritchenkov, Andreii S. ; Le, Tuan Anh. / Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions. In: Acta Crystallographica Section E Crystallographic Communications. 2024 ; Vol. 80, No. 10. pp. 1024-1028.

BibTeX

@article{3362a3696a174c1783d9216e20539d42,
title = "Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions",
abstract = "A new pyridine-fused seleno-diazo-lium salt, 3-(phenyl-selan-yl)[1,2,4]selena-diazolo[4,5- a]pyridin-4-ylium chloride di-chloro-methane 0.352-solvate, C 12H 9N 2Se 2 +·Cl -·0.352CH 2Cl 2, was obtained from the reaction between 2-pyridyl-selenenyl chloride and phenyl-seleno-cyanate. Single-crystal structural analysis revealed the presence of C-H⋯N, C-H⋯Cl -, C-H⋯Se hydrogen bonds as well as chalcogen-chalcogen (Se⋯Se) and chalcogen-halogen (Se⋯Cl -) inter-actions. Non-covalent inter-actions were explored by DFT calculations followed by topological analysis of the electron density distribution (QTAIM analysis). The structure consists of pairs of seleno-diazo-lium moieties arranged in a head-to-tail fashion surrounding disordered di-chloro-methane mol-ecules. The assemblies are connected by C-H⋯Cl - and C-H⋯N hydrogen bonds, forming layers, which stack along the c-axis direction connected by bifurcated Se⋯Cl -⋯H-C inter-actions. ",
keywords = "chalcogen bonding, chalcogen heterocycles, crystal structure, non-covalent interactions",
author = "Temesgen, {Ayalew W.} and Tskhovrebov, {Alexander G.} and Artemjev, {Alexey A.} and Kubasov, {Alexey S.} and Novikov, {Alexander S.} and Borisov, {Alexander V.} and Kirichuk, {Anatoly A.} and Kritchenkov, {Andreii S.} and Le, {Tuan Anh}",
year = "2024",
month = sep,
day = "17",
doi = "10.1107/s2056989024008831",
language = "English",
volume = "80",
pages = "1024--1028",
journal = "Acta Crystallographica Section E: Crystallographic Communications",
issn = "2056-9890",
publisher = "International Union of Crystallography",
number = "10",

}

RIS

TY - JOUR

T1 - Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions

AU - Temesgen, Ayalew W.

AU - Tskhovrebov, Alexander G.

AU - Artemjev, Alexey A.

AU - Kubasov, Alexey S.

AU - Novikov, Alexander S.

AU - Borisov, Alexander V.

AU - Kirichuk, Anatoly A.

AU - Kritchenkov, Andreii S.

AU - Le, Tuan Anh

PY - 2024/9/17

Y1 - 2024/9/17

N2 - A new pyridine-fused seleno-diazo-lium salt, 3-(phenyl-selan-yl)[1,2,4]selena-diazolo[4,5- a]pyridin-4-ylium chloride di-chloro-methane 0.352-solvate, C 12H 9N 2Se 2 +·Cl -·0.352CH 2Cl 2, was obtained from the reaction between 2-pyridyl-selenenyl chloride and phenyl-seleno-cyanate. Single-crystal structural analysis revealed the presence of C-H⋯N, C-H⋯Cl -, C-H⋯Se hydrogen bonds as well as chalcogen-chalcogen (Se⋯Se) and chalcogen-halogen (Se⋯Cl -) inter-actions. Non-covalent inter-actions were explored by DFT calculations followed by topological analysis of the electron density distribution (QTAIM analysis). The structure consists of pairs of seleno-diazo-lium moieties arranged in a head-to-tail fashion surrounding disordered di-chloro-methane mol-ecules. The assemblies are connected by C-H⋯Cl - and C-H⋯N hydrogen bonds, forming layers, which stack along the c-axis direction connected by bifurcated Se⋯Cl -⋯H-C inter-actions.

AB - A new pyridine-fused seleno-diazo-lium salt, 3-(phenyl-selan-yl)[1,2,4]selena-diazolo[4,5- a]pyridin-4-ylium chloride di-chloro-methane 0.352-solvate, C 12H 9N 2Se 2 +·Cl -·0.352CH 2Cl 2, was obtained from the reaction between 2-pyridyl-selenenyl chloride and phenyl-seleno-cyanate. Single-crystal structural analysis revealed the presence of C-H⋯N, C-H⋯Cl -, C-H⋯Se hydrogen bonds as well as chalcogen-chalcogen (Se⋯Se) and chalcogen-halogen (Se⋯Cl -) inter-actions. Non-covalent inter-actions were explored by DFT calculations followed by topological analysis of the electron density distribution (QTAIM analysis). The structure consists of pairs of seleno-diazo-lium moieties arranged in a head-to-tail fashion surrounding disordered di-chloro-methane mol-ecules. The assemblies are connected by C-H⋯Cl - and C-H⋯N hydrogen bonds, forming layers, which stack along the c-axis direction connected by bifurcated Se⋯Cl -⋯H-C inter-actions.

KW - chalcogen bonding

KW - chalcogen heterocycles

KW - crystal structure

KW - non-covalent interactions

UR - https://www.mendeley.com/catalogue/222e675e-561d-3394-9627-69984b0d304e/

U2 - 10.1107/s2056989024008831

DO - 10.1107/s2056989024008831

M3 - Article

C2 - 39372190

VL - 80

SP - 1024

EP - 1028

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 2056-9890

IS - 10

ER -

ID: 125273000