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
Yükleniyor...
Dosyalar
Tarih
2018
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Int Union Crystallography
Erişim Hakkı
info:eu-repo/semantics/openAccess
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.
Açıklama
Anahtar Kelimeler
Crystal structure, Biginelli condensation, Benzoxadiazocine, Hirshfeld surfaces.
Kaynak
Acta Crystallographica Section E: Crystallographic Communications
WoS Q Değeri
N/A
Scopus Q Değeri
Q3
Cilt
74
Sayı
3
Künye
Aydemir, E., Kansiz, S., Gumus, M. K., Gorobets, N. Y., & Dege, N. (2018). Crystal structure and Hirshfeld surface analysis of 7-ethoxy-5-methyl-2-(pyridin-3-yl)-11, 12-dihydro-5, 11-methano [1, 2, 4] triazolo [1, 5-c][1, 3, 5] benzoxadiazocine. Acta Crystallographica Section E: Crystallographic Communications, 74(3), 367-370.
