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Peer-reviewedCC BYActa crystallographica. Section E, Crystallographic communications

Crystal structure and Hirshfeld surface analysis of 3-(2,6-di-chloro-phen-yl)-1,5-bis-(thio-phen-2-yl)pentane-1,5-dione.

  • Atash V Gurbanov1
  • Mehmet Akkurt2
  • Gizachew Mulugeta Manahelohe3
  1. 1Excellence Center, Baku State University, Z. Khalilov Str. 33, AZ 1148, Baku, Azerbaijan.
  2. 2Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye.
  3. 3Department of Chemistry, University of Gondar, PO Box 196, Gondar, Ethiopia.
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Abstract

In the crystal of the title compound, C19H14Cl2O2S2, mol-ecules are linked by inter-molecular 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 inter-actions [centroid-to-centroid distances = 3.759 (3) and 3.760 (3) Å] connect mol-ecules, forming a three-dimensional network. Two thio-phene 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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Cite

BibTeXRIS
BibTeX
@article{gurbanov2026crystal,
  title = {{Crystal structure and Hirshfeld surface analysis of 3-(2,6-di-chloro-phen-yl)-1,5-bis-(thio-phen-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},
  month = oct,
  doi = {10.1107/s2056989026010133},
  url = {https://europepmc.org/article/MED/42997289},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - Crystal structure and Hirshfeld surface analysis of 3-(2,6-di-chloro-phen-yl)-1,5-bis-(thio-phen-2-yl)pentane-1,5-dione.
AU  - Atash V Gurbanov
AU  - Mehmet Akkurt
AU  - Gizachew Mulugeta Manahelohe
PY  - 2026
DA  - 2026/10/02
JO  - Acta crystallographica. Section E, Crystallographic communications
DO  - 10.1107/s2056989026010133
UR  - https://europepmc.org/article/MED/42997289
AB  - In the crystal of the title compound, C19H14Cl2O2S2, mol-ecules are linked by inter-molecular 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 inter-actions [centroid-to-centroid distances = 3.759 (3) and 3.760 (3) Å] connect mol-ecules, forming a three-dimensional network. Two thio-phene 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.
SN  - 2056-9890
ER  -