Crystal structure and Hirshfeld surface analysis of 3,3′-[ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one) including an unknown solvate

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Sadikhova N. D., AKKURT M., Ismayilov V. M., Yusubov N. N., Hasanov K. I., Bhattarai A.

Acta Crystallographica Section E: Crystallographic Communications, cilt.80, sa.Pt 6, ss.615-619, 2024 (ESCI) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 80 Sayı: Pt 6
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1107/s2056989024004286
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.615-619
  • Anahtar Kelimeler: crystal structure, dimers, Hirshfeld surface analysis, weak interactions, β-diketones
  • Erciyes Üniversitesi Adresli: Evet

Özet

The title molecule, C18H26O4, consists of two symmetrical halves related by the inversion centre at the mid-point of the central -C - C- bond. The hexene ring adopts an envelope conformation. In the crystal, the molecules are connected into dimers by C - H...O hydrogen bonds with R 2 2(8) ring motifs, forming zigzag ribbons along the b-axis direction. According to a Hirshfeld surface analysis, H...H (68.2%) and O...H/H...O (25.9%) interactions are the most significant contributors to the crystal packing. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9-18] in PLATON. The solvent contribution was not included in the reported molecular weight and density.