Open Access
Open access
volume 80 issue 5 pages 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

Farid N. Naghiyev
Mehmet Akkurt
Khammed A. Asadov
Ajaya Bhattarai
Ali N. Khalilov
İbrahim G. Mamedov
Publication typeJournal Article
Publication date2024-04-04
scimago Q4
wos Q4
SJR0.197
CiteScore1.2
Impact factor0.6
ISSN20569890
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract

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.

Found 
Found 

Top-30

Journals

1
2
Acta Crystallographica Section E: Crystallographic Communications
2 publications, 100%
1
2

Publishers

1
2
International Union of Crystallography (IUCr)
2 publications, 100%
1
2
  • We do not take into account publications without a DOI.
  • Statistics recalculated weekly.

Are you a researcher?

Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
2
Share
Cite this
GOST |
Cite this
GOST Copy
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.
GOST all authors (up to 50) Copy
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 |
Cite this
RIS Copy
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 -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@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
Cite this
MLA Copy
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.