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Crystal, Molecular, Electronic Structures and Spectroscopic Characteristics of N-Hydroxyamide of 3-[3,3-Dimethyl-1,2,3,4-Tetrahydroisoquinolin-1-Iden]-2-Oxopropanoic Acid. / Davydov, V. V.; Polyakova, E. I.; Ryabov, M. A. et al.
In:
Journal of Structural Chemistry, Vol. 60, No. 9, 01.09.2019, p. 1396-1406.
Research output: Contribution to journal › Article › peer-review
Harvard
Davydov, VV, Polyakova, EI, Ryabov, MA, Mikhailovskii, AG, Dorovatovsky, PV, Zubavichus, YV & Khrustalev, VN 2019, '
Crystal, Molecular, Electronic Structures and Spectroscopic Characteristics of N-Hydroxyamide of 3-[3,3-Dimethyl-1,2,3,4-Tetrahydroisoquinolin-1-Iden]-2-Oxopropanoic Acid',
Journal of Structural Chemistry, vol. 60, no. 9, pp. 1396-1406.
https://doi.org/10.1134/S002247661909004XAPA
Davydov, V. V., Polyakova, E. I., Ryabov, M. A., Mikhailovskii, A. G., Dorovatovsky, P. V., Zubavichus, Y. V., & Khrustalev, V. N. (2019).
Crystal, Molecular, Electronic Structures and Spectroscopic Characteristics of N-Hydroxyamide of 3-[3,3-Dimethyl-1,2,3,4-Tetrahydroisoquinolin-1-Iden]-2-Oxopropanoic Acid.
Journal of Structural Chemistry,
60(9), 1396-1406.
https://doi.org/10.1134/S002247661909004XVancouver
Davydov VV, Polyakova EI, Ryabov MA, Mikhailovskii AG, Dorovatovsky PV, Zubavichus YV et al.
Crystal, Molecular, Electronic Structures and Spectroscopic Characteristics of N-Hydroxyamide of 3-[3,3-Dimethyl-1,2,3,4-Tetrahydroisoquinolin-1-Iden]-2-Oxopropanoic Acid.
Journal of Structural Chemistry. 2019 Sept 1;60(9):1396-1406. doi: 10.1134/S002247661909004X
Author
Davydov, V. V. ; Polyakova, E. I. ; Ryabov, M. A. et al. /
Crystal, Molecular, Electronic Structures and Spectroscopic Characteristics of N-Hydroxyamide of 3-[3,3-Dimethyl-1,2,3,4-Tetrahydroisoquinolin-1-Iden]-2-Oxopropanoic Acid. In:
Journal of Structural Chemistry. 2019 ; Vol. 60, No. 9. pp. 1396-1406.
BibTeX
@article{bceaafb233ee493f8cdb7d397109387d,
title = "Crystal, Molecular, Electronic Structures and Spectroscopic Characteristics of N-Hydroxyamide of 3-[3,3-Dimethyl-1,2,3,4-Tetrahydroisoquinolin-1-Iden]-2-Oxopropanoic Acid",
abstract = "X-ray crystallography, quantum chemical modeling, IR, and electron spectroscopy methods are used to establish the structure of N-hydroxyamide of 3-[3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-iden]-2-oxopropanoic acid (1) possessing antifungal activity. It is shown that compound 1 exists in the form of an enamino-ketone-hydroxamic isomer in both crystalline state and solutions. The total charges on the atoms of the tetrahydroisoquinoline fragment and the atoms of the substituent in position 1 in molecule 1 are +0.425 e and −0.425 e, respectively. The structural and spectroscopic characteristics can be used in the studies of similar compounds.",
keywords = "crystal structure, electronic spectra, electronic structure, hydroxamic acids, IR spectra, isomerism, tetrahydroisoquinoline derivatives",
author = "Davydov, {V. V.} and Polyakova, {E. I.} and Ryabov, {M. A.} and Mikhailovskii, {A. G.} and Dorovatovsky, {P. V.} and Zubavichus, {Ya V.} and Khrustalev, {V. N.}",
year = "2019",
month = sep,
day = "1",
doi = "10.1134/S002247661909004X",
language = "English",
volume = "60",
pages = "1396--1406",
journal = "Journal of Structural Chemistry",
issn = "0022-4766",
publisher = "Springer GmbH & Co, Auslieferungs-Gesellschaf",
number = "9",
}
RIS
TY - JOUR
T1 - Crystal, Molecular, Electronic Structures and Spectroscopic Characteristics of N-Hydroxyamide of 3-[3,3-Dimethyl-1,2,3,4-Tetrahydroisoquinolin-1-Iden]-2-Oxopropanoic Acid
AU - Davydov, V. V.
AU - Polyakova, E. I.
AU - Ryabov, M. A.
AU - Mikhailovskii, A. G.
AU - Dorovatovsky, P. V.
AU - Zubavichus, Ya V.
AU - Khrustalev, V. N.
PY - 2019/9/1
Y1 - 2019/9/1
N2 - X-ray crystallography, quantum chemical modeling, IR, and electron spectroscopy methods are used to establish the structure of N-hydroxyamide of 3-[3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-iden]-2-oxopropanoic acid (1) possessing antifungal activity. It is shown that compound 1 exists in the form of an enamino-ketone-hydroxamic isomer in both crystalline state and solutions. The total charges on the atoms of the tetrahydroisoquinoline fragment and the atoms of the substituent in position 1 in molecule 1 are +0.425 e and −0.425 e, respectively. The structural and spectroscopic characteristics can be used in the studies of similar compounds.
AB - X-ray crystallography, quantum chemical modeling, IR, and electron spectroscopy methods are used to establish the structure of N-hydroxyamide of 3-[3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-iden]-2-oxopropanoic acid (1) possessing antifungal activity. It is shown that compound 1 exists in the form of an enamino-ketone-hydroxamic isomer in both crystalline state and solutions. The total charges on the atoms of the tetrahydroisoquinoline fragment and the atoms of the substituent in position 1 in molecule 1 are +0.425 e and −0.425 e, respectively. The structural and spectroscopic characteristics can be used in the studies of similar compounds.
KW - crystal structure
KW - electronic spectra
KW - electronic structure
KW - hydroxamic acids
KW - IR spectra
KW - isomerism
KW - tetrahydroisoquinoline derivatives
UR - http://www.scopus.com/inward/record.url?scp=85073392740&partnerID=8YFLogxK
U2 - 10.1134/S002247661909004X
DO - 10.1134/S002247661909004X
M3 - Article
AN - SCOPUS:85073392740
VL - 60
SP - 1396
EP - 1406
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
SN - 0022-4766
IS - 9
ER -
