Investigation of the Molecular Structure of (E)-2-Bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol
Publication type: Journal Article
Publication date: 2020-05-27
scimago Q4
wos Q4
SJR: 0.145
CiteScore: 0.8
Impact factor: 0.5
ISSN: 10637745, 1562689X
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
In this study, the molecular structure of (E)-2-bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol has been investigated using crystallographic (XRD), spectroscopic (UV-vis, NMR), and computational (DFT, HOMA) methods. The refinement parameters in XRD study supports the preference of phenol-imine form by the compound in solid state. The analysis of HOMA indices indicates that C1/C6 ring (tautomeric ring) deviates slightly from the aromaticity while the C8/C13 ring preserves its aromaticity in solid state. For the solvent-media dependence of the tautomerism, UV-vis and NMR spectra of the compound were investigated. It is found that the compound prefers only phenol-imine form in solvent media as in the case of solid state.
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Kaştaş G. et al. Investigation of the Molecular Structure of (E)-2-Bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol // Crystallography Reports. 2020. Vol. 65. No. 3. pp. 463-467.
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Kaştaş G., Kaştaş Ç. A., Ersanlı C. C., Kırca B. K. Investigation of the Molecular Structure of (E)-2-Bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol // Crystallography Reports. 2020. Vol. 65. No. 3. pp. 463-467.
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TY - JOUR
DO - 10.1134/s1063774520030153
UR - https://doi.org/10.1134/s1063774520030153
TI - Investigation of the Molecular Structure of (E)-2-Bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol
T2 - Crystallography Reports
AU - Kaştaş, G
AU - Kaştaş, Ç Albayrak
AU - Ersanlı, C C
AU - Kırca, B Koşar
PY - 2020
DA - 2020/05/27
PB - Pleiades Publishing
SP - 463-467
IS - 3
VL - 65
SN - 1063-7745
SN - 1562-689X
ER -
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@article{2020_Kaştaş,
author = {G Kaştaş and Ç Albayrak Kaştaş and C C Ersanlı and B Koşar Kırca},
title = {Investigation of the Molecular Structure of (E)-2-Bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol},
journal = {Crystallography Reports},
year = {2020},
volume = {65},
publisher = {Pleiades Publishing},
month = {may},
url = {https://doi.org/10.1134/s1063774520030153},
number = {3},
pages = {463--467},
doi = {10.1134/s1063774520030153}
}
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Kaştaş, G., et al. “Investigation of the Molecular Structure of (E)-2-Bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol.” Crystallography Reports, vol. 65, no. 3, May. 2020, pp. 463-467. https://doi.org/10.1134/s1063774520030153.
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