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Synthesis and crystal structure of the adduct between 2-pyridylselenyl chloride and isobutyronitrile. / Temesgen, Ayalew W.; Sapronov, Alexander A.; Kubasov, Alexey S.; Novikov, Alexander S.; Le, Tuan Anh; Tskhovrebov, Alexander G.

In: Acta Crystallographica Section E Crystallographic Communications, Vol. 80, No. 3, E80, 01.03.2024, p. 247-251.

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

Harvard

Temesgen, AW, Sapronov, AA, Kubasov, AS, Novikov, AS, Le, TA & Tskhovrebov, AG 2024, 'Synthesis and crystal structure of the adduct between 2-pyridylselenyl chloride and isobutyronitrile', Acta Crystallographica Section E Crystallographic Communications, vol. 80, no. 3, E80, pp. 247-251. https://doi.org/10.1107/s2056989024000938

APA

Temesgen, A. W., Sapronov, A. A., Kubasov, A. S., Novikov, A. S., Le, T. A., & Tskhovrebov, A. G. (2024). Synthesis and crystal structure of the adduct between 2-pyridylselenyl chloride and isobutyronitrile. Acta Crystallographica Section E Crystallographic Communications, 80(3), 247-251. [E80]. https://doi.org/10.1107/s2056989024000938

Vancouver

Temesgen AW, Sapronov AA, Kubasov AS, Novikov AS, Le TA, Tskhovrebov AG. Synthesis and crystal structure of the adduct between 2-pyridylselenyl chloride and isobutyronitrile. Acta Crystallographica Section E Crystallographic Communications. 2024 Mar 1;80(3):247-251. E80. https://doi.org/10.1107/s2056989024000938

Author

Temesgen, Ayalew W. ; Sapronov, Alexander A. ; Kubasov, Alexey S. ; Novikov, Alexander S. ; Le, Tuan Anh ; Tskhovrebov, Alexander G. / Synthesis and crystal structure of the adduct between 2-pyridylselenyl chloride and isobutyronitrile. In: Acta Crystallographica Section E Crystallographic Communications. 2024 ; Vol. 80, No. 3. pp. 247-251.

BibTeX

@article{a015d97d62594e4baa7fc9b0686ebc35,
title = "Synthesis and crystal structure of the adduct between 2-pyridylselenyl chloride and isobutyronitrile",
abstract = " The reaction between 2-pyridylselenenyl chloride and isobutyronitrile results in the formation of the corresponding cationic pyridinium-fused 1,2,4-selenodiazole, namely, 3-(propan-2-yl)-1,2,4-[1,2,4]selenadiazolo[4,5-a]pyridin-4-ylium chloride, C 9 H 11 N 2 Se + ·Cl − , in high yield (89%). The structure of the compound, established by means of single-crystal X-ray analysis at 100 K, has monoclinic ( P 2 1 / c ) symmetry and revealed the presence of bifurcated chalcogen-hydrogen bonding Se...Cl − ...H—Cl, and these non-covalent contacts were analysed by DFT calculations followed by a topological analysis of the electron-density distribution (wB97XD/6-311++G** level of theory). ",
author = "Temesgen, {Ayalew W.} and Sapronov, {Alexander A.} and Kubasov, {Alexey S.} and Novikov, {Alexander S.} and Le, {Tuan Anh} and Tskhovrebov, {Alexander G.}",
year = "2024",
month = mar,
day = "1",
doi = "10.1107/s2056989024000938",
language = "English",
volume = "80",
pages = "247--251",
journal = "Acta Crystallographica Section E: Crystallographic Communications",
issn = "2056-9890",
publisher = "International Union of Crystallography",
number = "3",

}

RIS

TY - JOUR

T1 - Synthesis and crystal structure of the adduct between 2-pyridylselenyl chloride and isobutyronitrile

AU - Temesgen, Ayalew W.

AU - Sapronov, Alexander A.

AU - Kubasov, Alexey S.

AU - Novikov, Alexander S.

AU - Le, Tuan Anh

AU - Tskhovrebov, Alexander G.

PY - 2024/3/1

Y1 - 2024/3/1

N2 - The reaction between 2-pyridylselenenyl chloride and isobutyronitrile results in the formation of the corresponding cationic pyridinium-fused 1,2,4-selenodiazole, namely, 3-(propan-2-yl)-1,2,4-[1,2,4]selenadiazolo[4,5-a]pyridin-4-ylium chloride, C 9 H 11 N 2 Se + ·Cl − , in high yield (89%). The structure of the compound, established by means of single-crystal X-ray analysis at 100 K, has monoclinic ( P 2 1 / c ) symmetry and revealed the presence of bifurcated chalcogen-hydrogen bonding Se...Cl − ...H—Cl, and these non-covalent contacts were analysed by DFT calculations followed by a topological analysis of the electron-density distribution (wB97XD/6-311++G** level of theory).

AB - The reaction between 2-pyridylselenenyl chloride and isobutyronitrile results in the formation of the corresponding cationic pyridinium-fused 1,2,4-selenodiazole, namely, 3-(propan-2-yl)-1,2,4-[1,2,4]selenadiazolo[4,5-a]pyridin-4-ylium chloride, C 9 H 11 N 2 Se + ·Cl − , in high yield (89%). The structure of the compound, established by means of single-crystal X-ray analysis at 100 K, has monoclinic ( P 2 1 / c ) symmetry and revealed the presence of bifurcated chalcogen-hydrogen bonding Se...Cl − ...H—Cl, and these non-covalent contacts were analysed by DFT calculations followed by a topological analysis of the electron-density distribution (wB97XD/6-311++G** level of theory).

UR - https://www.mendeley.com/catalogue/f10b02ff-9926-3e2e-8094-80913043a23e/

U2 - 10.1107/s2056989024000938

DO - 10.1107/s2056989024000938

M3 - Article

C2 - 38456062

VL - 80

SP - 247

EP - 251

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 2056-9890

IS - 3

M1 - E80

ER -

ID: 116636125