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Öğe Crystal structure and Hirshfeld surface analysis of 2-{[(E)-(3-cyclo butyl-1H-1,2,4-triazol-5-yl)imino] meth yl}phenol(International Union of Crystallography, 2021) Gümüş, Mustafa Kemal; Şen, Fatih; Kansız, Sevgi; Dege, Necmi; Saif, EiadThe 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.Öğe Crystal structure and Hirshfeld surface analysis of 3-(hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one(International Union of Crystallography, 2022) Gümüş, Mustafa Kemal; Kansız, Sevgi; Tulemisova, Gulzhamal Bagitovna; Dege, Necmi; Saif, EiadA new synthesis of the title compound, C19H21NO2, was developed with good yield and purity using the reaction of 4-hydroxy-3-methyl-2-butanone, benzaldehyde and ammonium acetate in glacial acetic acid as a solvent. The central piperidine ring adopts a chair conformation, and its least-squares basal plane forms dihedral angles of 85.71?(11) and 77.27?(11)° with the terminal aromatic rings. In the crystal, the molecules are linked by O-H?O and C-H?O hydrogen bonds into double ribbons. The Hirshfeld surface analysis shows that the most important contributions are from H?H (68%), C?H/H?C (19%) and O?H/H?O (12%) interactions.












