SYNTHESIS, CRYSTAL STRUCTURE, HIRSHFELD SURFACE ANALYSIS, SUPRAMOLECULAR AND COMPUTATIONAL INVESTIGATION OF THE (E)-4-METHOXY-2-(((2-METHOXY-5-(TRIFLUOROMETHYL) PHENYL)IMINO) METHYL)PHENOL COMPOUND

Ozsanli H., Şimşek O., Yılmaz O., Cicek C., Ağar E., Çoruh U., ...Daha Fazla

JOURNAL OF STRUCTURAL CHEMISTRY, cilt.65, sa.5, ss.946-957, 2024 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 65 Sayı: 5
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1134/s0022476624050081
  • Dergi Adı: JOURNAL OF STRUCTURAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Sayfa Sayıları: ss.946-957
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

Crystallographic features of the synthesized compound (E)-4-methoxy-2-(((2-methoxy-5-(trifluoromethyl) phenyl)imino)methyl)phenol are investigated with the Hirshfeld surface analysis and X-ray diffraction (XRD). The stability of the crystal packing primarily stems from N-H center dot center dot center dot O and C-H center dot center dot center dot O bonding interactions, further fortified by offset pi center dot center dot center dot pi stacking interactions. To delve into the supramolecular arrangement, the Hirshfeld surface analysis is conducted, shedding light on the intricacies of the crystal packing. The structure of the synthesized compound is determined through the single crystal XRD analysis, revealing its crystallization within the triclinic crystal system, space group P (1) over bar. The supramolecular assembly is explored by the Hirshfeld surface analysis, and the supramolecular geometric features of the title compound involve the compact arrangement of title molecules with each other. The dispersion energy properties are examined through studies on the interaction energy and energy frameworks.