Crystal structure and Hirshfeld surface analysis of 7-ethoxy-5-methyl-2-(pyridin-3-yI)-11,12-di hydro5,11-methano[1,2,4]triazolo[1,5-c][1,3,5-Thenzoxadiazocine

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Aydemir E., Kansiz S., GÜMÜŞ M. K., Gorobets N. Y., DEGE N.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.74, ss.367-376, 2018 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 74
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1107/s2056989018002621
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.367-376
  • Anahtar Kelimeler: crystal structure, Biginelli condensation, benzoxadiazocine, Hirshfeld surfaces
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The title compound, Ci(9)H(19)N(5)O(2), was prepared by the reaction of 3-amino-5(pyridin-3-yl)-1,2,4-triazole with acetone and 2-hydroxy-3-ethoxybenzaldehyde. It crystallizes from ethanol in a tetragonal space group, with one molecule in the asymmetric unit. The 1,2,4-triazole five-membered ring is planar (maximum deviation = 0.0028 angstrom). The pyridine and phenyl rings are also planar with maximum deviations of 0.0091 and 0.0094 angstrom, respectively. In the crystal, N-H center dot center dot center dot N hydrogen bonds link the molecules into supramolecular chains propagating along the c-axis direction. Hirshfeld surface analysis and twodimensional fingerprint plots have been used to analyse the intermolecular interactions present in the crystal.