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Acta Crystallographica Section E: Crystallographic Communications, volume 79, issue 9, pages 847-851
Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
Publication type: Journal Article
Publication date: 2023-08-30
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Impact factor: 0.6
ISSN: 20569890
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
In the title compound, C16H13BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is E. In the crystal, the molecules are linked into chains by weak C—H...O interactions along the b axis. Successive chains form a zigzag structure along the c axis, and these chains are connected to each other by face-to-face π–π stacking interactions along the a axis. These layers, parallel to the (001) plane, are linked by van der Waals interactions, thus consolidating the crystal structure. Hirshfeld surface analysis showed that the most significant contacts in the structure are H...H (43.1%), C...H/H...C (17.4%), Br...H/H...Br (14.9%), C...C (11.9%) and O...H/H...O (9.8%).
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Akkurt M. et al. Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one // Acta Crystallographica Section E: Crystallographic Communications. 2023. Vol. 79. No. 9. pp. 847-851.
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Akkurt M., Naghiyev F.N., Khrustalev V.N., Asadov K.A., Khalilov A.N., Bhattarai A., Mamedov İ.G. Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one // Acta Crystallographica Section E: Crystallographic Communications. 2023. Vol. 79. No. 9. pp. 847-851.
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TY - JOUR
DO - 10.1107/s2056989023007387
UR - https://doi.org/10.1107/s2056989023007387
TI - Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
T2 - Acta Crystallographica Section E: Crystallographic Communications
AU - Akkurt, M
AU - Naghiyev, F N
AU - Khrustalev, V N
AU - Asadov, K A
AU - Khalilov, A N
AU - Bhattarai, A
AU - Mamedov, İ G
PY - 2023
DA - 2023/08/30 00:00:00
PB - International Union of Crystallography (IUCr)
SP - 847-851
IS - 9
VL - 79
SN - 2056-9890
ER -
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@article{2023,
author = {M Akkurt and F N Naghiyev and V N Khrustalev and K A Asadov and A N Khalilov and A Bhattarai and İ G Mamedov},
title = {Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one},
journal = {Acta Crystallographica Section E: Crystallographic Communications},
year = {2023},
volume = {79},
publisher = {International Union of Crystallography (IUCr)},
month = {aug},
url = {https://doi.org/10.1107/s2056989023007387},
number = {9},
pages = {847--851},
doi = {10.1107/s2056989023007387}
}
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