Standard

Solid state and dynamic solution structures of O-carbamidine amidoximes gives further insight into the mechanism of zinc(II)-mediated generation of 1,2,4-oxadiazoles. / Kulish, K.I.; Novikov, A.S.; Tolstoy, P.M.; Bolotin, D.S.; Bokach, N.A.; Zolotarev, A.A.; Kukushkin, V.Y.

в: Journal of Molecular Structure, Том 1111, 2016, стр. 142-150.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Kulish, KI, Novikov, AS, Tolstoy, PM, Bolotin, DS, Bokach, NA, Zolotarev, AA & Kukushkin, VY 2016, 'Solid state and dynamic solution structures of O-carbamidine amidoximes gives further insight into the mechanism of zinc(II)-mediated generation of 1,2,4-oxadiazoles', Journal of Molecular Structure, Том. 1111, стр. 142-150. https://doi.org/10.1016/j.molstruc.2016.01.038, https://doi.org/10.1016/j.molstruc.2016.01.038

APA

Kulish, K. I., Novikov, A. S., Tolstoy, P. M., Bolotin, D. S., Bokach, N. A., Zolotarev, A. A., & Kukushkin, V. Y. (2016). Solid state and dynamic solution structures of O-carbamidine amidoximes gives further insight into the mechanism of zinc(II)-mediated generation of 1,2,4-oxadiazoles. Journal of Molecular Structure, 1111, 142-150. https://doi.org/10.1016/j.molstruc.2016.01.038, https://doi.org/10.1016/j.molstruc.2016.01.038

Vancouver

Kulish KI, Novikov AS, Tolstoy PM, Bolotin DS, Bokach NA, Zolotarev AA и пр. Solid state and dynamic solution structures of O-carbamidine amidoximes gives further insight into the mechanism of zinc(II)-mediated generation of 1,2,4-oxadiazoles. Journal of Molecular Structure. 2016;1111:142-150. https://doi.org/10.1016/j.molstruc.2016.01.038, https://doi.org/10.1016/j.molstruc.2016.01.038

Author

Kulish, K.I. ; Novikov, A.S. ; Tolstoy, P.M. ; Bolotin, D.S. ; Bokach, N.A. ; Zolotarev, A.A. ; Kukushkin, V.Y. / Solid state and dynamic solution structures of O-carbamidine amidoximes gives further insight into the mechanism of zinc(II)-mediated generation of 1,2,4-oxadiazoles. в: Journal of Molecular Structure. 2016 ; Том 1111. стр. 142-150.

BibTeX

@article{83979c60a5c440e492a3026384a398a7,
title = "Solid state and dynamic solution structures of O-carbamidine amidoximes gives further insight into the mechanism of zinc(II)-mediated generation of 1,2,4-oxadiazoles",
abstract = "{\textcopyright} 2016 Published by Elsevier B.V. Three new iminium salts [H2N=C(R)ON=C(R′)NH2](p-TolSO3)·H2O ([1-3](p-TolSO3)·H2O; R/R′ = NMe2/PhCH2 1, NMe2/p-BrC6H4 2, N(CH2)5/p-BrC6H4 3) were synthesized via ZnII-mediated amidoxime-cyanamide coupling and their solid structures were studied by X-ray diffraction. Solution structure and conformational changes of [1-3](p-TolSO3)·H2O were studied by dynamic NMR. The obtained quantitative data were supported by DFT calculations. All the obtained results help to understand the relative stability of the salts [H2N=C(R)ON=C(R′)NH2](X) (R = NAlk2, Alk, Ar) and give a further insight into the mechanism of ZnII-mediated generation of 1,2,4-oxadiazoles. The electron delocalization and sesquialteral bonds in the [H2N=C(NR2)ON=C(R′)NH2]+ system was recognized by estimation of values of activation energy barriers (14-18 kcal/mol by DNMR and 16-17 kcal/mol by DFT calculations) for the rotation around the CN bonds for the NR2 groups and inspection of the solid-state X-ray data along with t",
author = "K.I. Kulish and A.S. Novikov and P.M. Tolstoy and D.S. Bolotin and N.A. Bokach and A.A. Zolotarev and V.Y. Kukushkin",
note = "cited By 11",
year = "2016",
doi = "10.1016/j.molstruc.2016.01.038",
language = "English",
volume = "1111",
pages = "142--150",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Solid state and dynamic solution structures of O-carbamidine amidoximes gives further insight into the mechanism of zinc(II)-mediated generation of 1,2,4-oxadiazoles

AU - Kulish, K.I.

AU - Novikov, A.S.

AU - Tolstoy, P.M.

AU - Bolotin, D.S.

AU - Bokach, N.A.

AU - Zolotarev, A.A.

AU - Kukushkin, V.Y.

N1 - cited By 11

PY - 2016

Y1 - 2016

N2 - © 2016 Published by Elsevier B.V. Three new iminium salts [H2N=C(R)ON=C(R′)NH2](p-TolSO3)·H2O ([1-3](p-TolSO3)·H2O; R/R′ = NMe2/PhCH2 1, NMe2/p-BrC6H4 2, N(CH2)5/p-BrC6H4 3) were synthesized via ZnII-mediated amidoxime-cyanamide coupling and their solid structures were studied by X-ray diffraction. Solution structure and conformational changes of [1-3](p-TolSO3)·H2O were studied by dynamic NMR. The obtained quantitative data were supported by DFT calculations. All the obtained results help to understand the relative stability of the salts [H2N=C(R)ON=C(R′)NH2](X) (R = NAlk2, Alk, Ar) and give a further insight into the mechanism of ZnII-mediated generation of 1,2,4-oxadiazoles. The electron delocalization and sesquialteral bonds in the [H2N=C(NR2)ON=C(R′)NH2]+ system was recognized by estimation of values of activation energy barriers (14-18 kcal/mol by DNMR and 16-17 kcal/mol by DFT calculations) for the rotation around the CN bonds for the NR2 groups and inspection of the solid-state X-ray data along with t

AB - © 2016 Published by Elsevier B.V. Three new iminium salts [H2N=C(R)ON=C(R′)NH2](p-TolSO3)·H2O ([1-3](p-TolSO3)·H2O; R/R′ = NMe2/PhCH2 1, NMe2/p-BrC6H4 2, N(CH2)5/p-BrC6H4 3) were synthesized via ZnII-mediated amidoxime-cyanamide coupling and their solid structures were studied by X-ray diffraction. Solution structure and conformational changes of [1-3](p-TolSO3)·H2O were studied by dynamic NMR. The obtained quantitative data were supported by DFT calculations. All the obtained results help to understand the relative stability of the salts [H2N=C(R)ON=C(R′)NH2](X) (R = NAlk2, Alk, Ar) and give a further insight into the mechanism of ZnII-mediated generation of 1,2,4-oxadiazoles. The electron delocalization and sesquialteral bonds in the [H2N=C(NR2)ON=C(R′)NH2]+ system was recognized by estimation of values of activation energy barriers (14-18 kcal/mol by DNMR and 16-17 kcal/mol by DFT calculations) for the rotation around the CN bonds for the NR2 groups and inspection of the solid-state X-ray data along with t

U2 - 10.1016/j.molstruc.2016.01.038

DO - 10.1016/j.molstruc.2016.01.038

M3 - Article

VL - 1111

SP - 142

EP - 150

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

ER -

ID: 7597459