Crystal structure and Hirshfeld surface analysis of 6,6 '-((1E, 1 ' E)-{[1 ,4-phenylenebis(methylene)]bis-(azanylylidene)]bis(methaneylylidene)bis(2-meth-oxyphenol)

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Kansiz S., Yesilbag S., DEGE N., Saif E., Ağar E.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.78, ss.84-91, 2022 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 78
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1107/s2056989021013347
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.84-91
  • Anahtar Kelimeler: crystal structure, tetradentate salen-type, Schiff base, phenol-imine tautomer, Hirshfeld surface analysis, BOND
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The Schiff base compound, C24H24N2O4, was synthesized by the interaction of 2-hydroxy-3-methoxy benzaldehyde and 1,4-benzene dimethanamine in ethanol, and crystallizes in the monoclinic space group P2(1)/n with Z' = 0.5. The molecule is not planar, the 1,4-diethylbenzene and the phenol rings are twisted with respect to each other, making a dihedral angle of 74.27 (5)degrees. The molecular structure is stabilized by an O-H center dot center dot center dot N hydrogen bond, forming an S(6) ring motif. In the crystal, molecules are linked by C-H center dot center dot center dot O hydrogen bonds, resulting in the formation of sheets parallel to the be plane. A Hirshfeld surface analysis was undertaken to investigate the various intermolecular contacts controlling the supramolecular topology, suggesting the H center dot center dot center dot O (18%) contacts to be the most significant interactions, whereas the H center dot center dot center dot H (50.5%) and C center dot center dot center dot H (24.3%) interactions are less significant.