Crystal structure and Hirshfeld surface analysis of 2,2,2-trichloro-N,N-bis{[(1RS,4SR)-1,4-dihydro-1,4-epoxynaphthalen-1-yl]methyl}acetamide

Atioglu Z., AKKURT M., Mammadova G. Z., Bhattarai A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.77, ss.1048-1059, 2021 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 77
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1107/s2056989021009907
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1048-1059
  • Anahtar Kelimeler: crystal structure, tetrahydrofuran rings, C-H center dot center dot center dot O hydrogen bonds, C-H center dot center dot center dot pi interactions, Hirshfeld surface analysis, IMDAF reaction, Diels-Alder reaction, BIS-FURYL DIENES, TANDEM, CYCLOADDITION
  • Erciyes Üniversitesi Adresli: Evet

Özet

In the title compound, C24H18Cl3NO3, the tetrahydrofuran rings adopt envelope conformations. In the crystal, C-H center dot center dot center dot O hydrogen bonds connect molecules, generating layers parallel to the (001) plane. These layers are connected along the c-axis direction by C-H center dot center dot center dot pi interactions. The packing is further stabilized by interlayer van der Waals and interhalogen interactions. The most important contributions to the surface contacts are from H center dot center dot center dot H (36.8%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (26.6%), C center dot center dot center dot H/H center dot center dot center dot C (18.8%) and O center dot center dot center dot H/H center dot center dot center dot O (11.3%) interactions, as concluded from a Hirshfeld surface analysis.