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том 80 издание 5 страницы 446-451

Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate

Тип публикацииJournal Article
Дата публикации2024-04-04
SCImago Q3
WOS Q4
БС3
SJR0.22
CiteScore1.2
Impact factor0.6
ISSN20569890
General Chemistry
Condensed Matter Physics
General Materials Science
Краткое описание

In the title compound, C20H17BrO5S, molecules are connected by intermolecular C—H...S hydrogen bonds with R 2 2(10) ring motifs, forming ribbons along the b-axis direction. C—H...π interactions consolidate the ribbon structure while van der Waals forces between the ribbons ensure the cohesion of the crystal structure. According to a Hirshfeld surface analysis, H...H (40.5%), O...H/H...O (27.0%), C...H/H...C (13.9%) and Br...H/H...Br (11.7%) interactions are the most significant contributors to the crystal packing. The thiophene ring and its adjacent dicarboxylate group and the three adjacent carbon atoms of the central hexene ring to which they are attached were refined as disordered over two sets of sites having occupancies of 0.8378 (15) and 0.1622 (15). The thiophene group is disordered by a rotation of 180° around one bond.

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Топ-30

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Acta Crystallographica Section E: Crystallographic Communications
2 публикации, 100%
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2

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International Union of Crystallography (IUCr)
2 публикации, 100%
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ГОСТ |
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Naghiyev F. N. et al. Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate // Acta Crystallographica Section E: Crystallographic Communications. 2024. Vol. 80. No. 5. pp. 446-451.
ГОСТ со всеми авторами (до 50) Скопировать
Naghiyev F. N., Khrustalev V. N., Akkurt M., Asadov K. A., Bhattarai A., Khalilov A. N., Mamedov İ. G. Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate // Acta Crystallographica Section E: Crystallographic Communications. 2024. Vol. 80. No. 5. pp. 446-451.
RIS |
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TY - JOUR
DO - 10.1107/s2056989024002858
UR - https://scripts.iucr.org/cgi-bin/paper?S2056989024002858
TI - Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate
T2 - Acta Crystallographica Section E: Crystallographic Communications
AU - Naghiyev, Farid N.
AU - Khrustalev, Victor N.
AU - Akkurt, Mehmet
AU - Asadov, Khammed A.
AU - Bhattarai, Ajaya
AU - Khalilov, Ali N.
AU - Mamedov, İbrahim G.
PY - 2024
DA - 2024/04/04
PB - International Union of Crystallography (IUCr)
SP - 446-451
IS - 5
VL - 80
PMID - 38721421
SN - 2056-9890
ER -
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@article{2024_Naghiyev,
author = {Farid N. Naghiyev and Victor N. Khrustalev and Mehmet Akkurt and Khammed A. Asadov and Ajaya Bhattarai and Ali N. Khalilov and İbrahim G. Mamedov},
title = {Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate},
journal = {Acta Crystallographica Section E: Crystallographic Communications},
year = {2024},
volume = {80},
publisher = {International Union of Crystallography (IUCr)},
month = {apr},
url = {https://scripts.iucr.org/cgi-bin/paper?S2056989024002858},
number = {5},
pages = {446--451},
doi = {10.1107/s2056989024002858}
}
MLA
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Naghiyev, Farid N., et al. “Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate.” Acta Crystallographica Section E: Crystallographic Communications, vol. 80, no. 5, Apr. 2024, pp. 446-451. https://scripts.iucr.org/cgi-bin/paper?S2056989024002858.
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