Crystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11 bSR,11cRS)-2,2-dibenzyl2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11 b-diepoxydi benzo[de,h] isoqui noli n-2-ium trifluoromethanesulfonate

Atioglu Z., AKKURT M., Mammadova G. Z., Mlowe S.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.77, ss.1072-1085, 2021 (ESCI) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 77
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1107/s20569890201010173
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1072-1085
  • Anahtar Kelimeler: crystal structure, tetrahydrofuran, ring, piperidine ring, C-H center dot center dot center dot O hydrogen, bonds, Hirshfeld surface analysis, IMDAF reaction, Diels Alder reaction
  • Erciyes Üniversitesi Adresli: Evet

Özet

In the cation of the title salt, C30H28NO2+-CF303S-, the four tetrahydrofuran rings adopt envelope conformations. In the crystal, pairs of cations are linked by dimeric C H...O hydrogen bonds, forming two R3:(6) ring motifs parallel to the (001) plane. The cations and anions are connected by further C H...O hydrogen bonds, forming a three-dimensional network structure. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (47.6%), C...H/H...C (20.6%), O...H/H...O (18.0%) and F...H/H...F (9.9%) interactions.