Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methylpnenyl-imino)methyl] phenol

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Kansiz S., Macit M., DEGE N., Pavlenko V. A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.74, ss.1887-1895, 2018 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 74
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1107/s2056989018016377
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1887-1895
  • Anahtar Kelimeler: crystal structure, Schiff bases, 3-chloro-4-methylphenylimino, Hirshfeld surface
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The title Schiff base compound, C22H28ClNO, shows mirror symmetry with all its non-H atoms, except the tert-butyl groups, located on the mirror plane. There is an intramolecular O-H center dot center dot center dot N hydrogen bond present forming an S(6) ring motif. In the crystal, the molecules are connected by C -H center dot center dot center dot pi interactions, generating a three-dimensional supramolecular structure. Hirshfeld surface analysis and two dimensional fingerprint plots were used to analyse the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H center dot center dot center dot H (68.9%) and C center dot center dot center dot H/H center dot center dot center dot C (11.7%) interactions.