Crystal structure and Hirshfeld surface analysis of 2-{[(E)-(3-cyclo butyl-1H-1,2,4-triazol-5-yl)imino] meth yl}phenol

Basit Öğe Kaydı
dc.authorid0000-0001-6373-5221en_US
dc.authorid0000-0003-1593-8483en_US
dc.authorid0000-0002-8433-7975en_US
dc.contributor.authorGümüş, Mustafa Kemal
dc.contributor.authorŞen, Fatih
dc.contributor.authorKansız, Sevgi
dc.contributor.authorDege, Necmi
dc.contributor.authorSaif, Eiad
dc.date.accessioned2021-12-31T11:20:10Z
dc.date.available2021-12-31T11:20:10Z
dc.date.issued2021
dc.departmentAÇÜ, Artvin Meslek Yüksekokulu, Laboratuvar Teknolojisi Bölümüen_US
dc.description.abstractThe 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.
dc.identifier.citationGümüş, 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 - 1271en_US
dc.identifier.doi10.1107/S2056989021011658
dc.identifier.endpage1271en_US
dc.identifier.scopusqualityQ3
dc.identifier.startpage1267en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989021011658
dc.identifier.urihttps://hdl.handle.net/11494/3655
dc.identifier.volume77en_US
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorGümüş, Mustafa Kemal
dc.language.isoenen_US
dc.publisherInternational Union of Crystallographyen_US
dc.relation.ispartofActa Crystallographica Section E: Crystallographic Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectCrystal structureen_US
dc.subjectCyclo but ylen_US
dc.subjectHirshfeld surfaceen_US
dc.subjectMicrowave-assisted synthesisen_US
dc.subjectSalicyl aldehydeen_US
dc.subjectTriazoleen_US
dc.titleCrystal structure and Hirshfeld surface analysis of 2-{[(E)-(3-cyclo butyl-1H-1,2,4-triazol-5-yl)imino] meth yl}phenolen_US
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim
İsim:
mkemal_gumus.pdf
Boyut:
755.11 KB
Biçim:
Adobe Portable Document Format
Açıklama:
İndir
Lisans paketi
Listeleniyor 1 - 1 / 1
[ X ]
İsim:
license.txt
Boyut:
1.44 KB
Biçim:
Item-specific license agreed upon to submission
Açıklama:
İndir

Koleksiyon

Artvin MYO Koleksiyonu Yayın Koleksiyonu
PubMed İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu