Crystal structure and Hirshfeld surface analysis of 2-{[(E)-(3-cyclo butyl-1H-1,2,4-triazol-5-yl)imino] meth yl}phenol
Yükleniyor...
Dosyalar
Tarih
2021
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
International Union of Crystallography
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
The title compound, C13H14N4O, was developed using the reaction of salicyl aldehyde and 3-amino-5-cyclo butyl-1,2,4-triazole in ethanol under microwave irradiation. This eco-friendly microwave-promoted method proved to be efficient in the synthesis of 2-{[(E)-(3-cyclo butyl-1H-1,2,4-triazol-5-yl)imino] meth yl}phenol in good yields and purity. The title compound is a Schiff base that exists in the phenol-imine tautomeric form and adopts an E configuration. The three independent mol ecules in the asymmetric unit (A, B and C) are not planar, the cyclo butyl and the phenol-imine rings are twisted to each other making a dihedral angle of 67.8 (4)° in mol ecule A, 69.1 (2)° in mol ecule B and 89.1 (2)° in mol ecule C. In each mol ecule an intra molecular O - H?N hydrogen bond is present, forming an S(6) ring motif. A Hirshfeld surface analysis was performed to investigate the contributions of the different inter molecular contacts within the supra molecular structure. The major inter actions are H?H (53%), C?H (19%) and N?H (17%) for mol ecule A, H?H (50%), N?H (20%) and C?H (20%) for mol ecule B and H?H (57%), C?H (14%) and N?H (13%) for mol ecule C.
Açıklama
Anahtar Kelimeler
Crystal structure, Cyclo but yl, Hirshfeld surface, Microwave-assisted synthesis, Salicyl aldehyde, Triazole
Kaynak
Acta Crystallographica Section E: Crystallographic Communications
WoS Q Değeri
Scopus Q Değeri
Q3
Cilt
77
Sayı
Künye
Gümüş, M. K., Sen, F., Kansız, S., Dege, N., & Saif, E. (2021). Crystal structure and Hirshfeld surface analysis of 2-{[(E)-(3-cyclobutyl-1H-1, 2, 4-triazol-5-yl) imino] methyl} phenol. Acta Crystallographica Section E: Crystallographic Communications, 77, 1267 - 1271
