Crystal structures of chemical compounds
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Abstract
Abstract
In the crystal of the title compound, C 19 H 14 Cl 2 O 2 S 2 , molecules are linked by intermolecular C—H...O hydrogen bonds, forming a square-ring around a fourfold rotation axis parallel to the c -axis. In addition, C—H...π and π–π interactions [centroid-to-centroid distances = 3.759 (3) and 3.760 (3) Å] connect molecules, forming a three-dimensional network. Two thiophene rings are disordered with a 180° rotation over two positions; the first in a 0.686 (2)(3):0.314 (2) ratio and the second in a 0.787 (2):0.213 (2) ratio. The major contributions to the Hirshfeld surface are from H...H (32.4%), C...H/H...C (25.6%), Cl...H/H...Cl (17.2%) and O...H/H...O (14.4%) contacts.
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@article{Gurbanov2026Crystal,
title = {Crystal structure and Hirshfeld surface analysis of 3-(2,6-dichlorophenyl)-1,5-bis(thiophen-2-yl)pentane-1,5-dione},
author = {Atash V. Gurbanov and Mehmet Akkurt and Gizachew Mulugeta Manahelohe},
journal = {Acta Crystallographica Section E Crystallographic Communications},
year = {2026},
doi = {10.1107/s2056989026010133},
url = {https://doi.org/10.1107/s2056989026010133}
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