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Peer-reviewedCC BYActa crystallographica. Section E, Crystallographic communications

Crystal structure and Hirshfeld surface analysis of 3-(4-meth-oxy-phen-yl)-2-[(thio-phen-2-yl)carbon-yl]acrylo-nitrile.

  • Elnur Z Huseynov1
  • Ayten S Safarova1
  • Farid N Naghiyev1
  • Malahat M Kurbanova1
  • Mehmet Akkurt2
  • Jamshid M Ashurov3
  • Hamouda Adam Hamouda4
  • İbrahim G Mamedov1
4 affiliations
  1. 1Faculty of Chemistry, Baku State University, Z. Khalilov str. 23, Az 1148, Baku, Azerbaijan.
  2. 2Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye.
  3. 3Institute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, M. Ulugbek Str. 83, Tashkent 100125, Uzbekistan.
  4. 4Department of Chemistry, Faculty of Science, University of Kordofan, Sudan.
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Abstract

In the title com-pound, C15H11NO2S, the intra-molecular C-H⋯O hy-dro-gen-bond inter-action forms an S(6) ring motif. The dihedral angle between the planes of the thio-phene and meth-oxy-phenyl ringss 12.26 (15)°. In the crystal, mol-ecular pairs are joined by C-H⋯N contacts, forming R22(16) motifs lying parallel to the (001) plane. They are connected by C-O⋯π and π-π inter-actions [centroid-to-centroid lengths = 3.9049 (18) and 3.9050 (18) Å], resulting in layers parallel to the (100) plane. These layers are linked by C-H⋯N inter-actions. Hirshfeld surface analysis indicates that H⋯H (35.3%), O⋯H/H⋯O (13.5%), C⋯C (12.5%), N⋯H/H⋯N (11.6%), C⋯H/H⋯C (11.6%) and S⋯H/H⋯S (9.0%) inter-actions make significant contributions.

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Cite

BibTeXRIS
BibTeX
@article{huseynov2026crystal,
  title = {{Crystal structure and Hirshfeld surface analysis of 3-(4-meth-oxy-phen-yl)-2-[(thio-phen-2-yl)carbon-yl]acrylo-nitrile.}},
  author = {Elnur Z Huseynov and Ayten S Safarova and Farid N Naghiyev and Malahat M Kurbanova and Mehmet Akkurt and Jamshid M Ashurov and Hamouda Adam Hamouda and İbrahim G Mamedov},
  journal = {Acta crystallographica. Section E, Crystallographic communications},
  year = {2026},
  month = oct,
  doi = {10.1107/s205698902601042x},
  url = {https://europepmc.org/article/MED/42997281},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - Crystal structure and Hirshfeld surface analysis of 3-(4-meth-oxy-phen-yl)-2-[(thio-phen-2-yl)carbon-yl]acrylo-nitrile.
AU  - Elnur Z Huseynov
AU  - Ayten S Safarova
AU  - Farid N Naghiyev
AU  - Malahat M Kurbanova
AU  - Mehmet Akkurt
AU  - Jamshid M Ashurov
AU  - Hamouda Adam Hamouda
AU  - İbrahim G Mamedov
PY  - 2026
DA  - 2026/10/13
JO  - Acta crystallographica. Section E, Crystallographic communications
DO  - 10.1107/s205698902601042x
UR  - https://europepmc.org/article/MED/42997281
AB  - In the title com-pound, C15H11NO2S, the intra-molecular C-H⋯O hy-dro-gen-bond inter-action forms an S(6) ring motif. The dihedral angle between the planes of the thio-phene and meth-oxy-phenyl ringss 12.26 (15)°. In the crystal, mol-ecular pairs are joined by C-H⋯N contacts, forming R22(16) motifs lying parallel to the (001) plane. They are connected by C-O⋯π and π-π inter-actions [centroid-to-centroid lengths = 3.9049 (18) and 3.9050 (18) Å], resulting in layers parallel to the (100) plane. These layers are linked by C-H⋯N inter-actions. Hirshfeld surface analysis indicates that H⋯H (35.3%), O⋯H/H⋯O (13.5%), C⋯C (12.5%), N⋯H/H⋯N (11.6%), C⋯H/H⋯C (11.6%) and S⋯H/H⋯S (9.0%) inter-actions make significant contributions.
SN  - 2056-9890
ER  -