A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES

Buse Ferah

doi:10.20290/btdb.37720

EN TR

A comparative study on 2-(2-benzylidenehydrazinyl)-4-(3-methyl-3-phenylcyclobutyl) thiazole : X-ray, HF and DFT studies

Öz

The title compound, 2-(2-benzylidenehydrazinyl)-4-(3-methyl-3-phenylcyclobutyl)thiazole (C₂₁H₂₁N₃S) was prepared and characterized by X – ray single crystal diffraction and IR and NMR spectroscopies. The compound crystallizes in the triclinic space group P with a = 5.8973(4) Å, b = 10.4727(18) Å, c = 15.136(2) Å , α = 86.505(13)˚, β = 84.242(12)˚, γ = 89.870(13)˚ and Z = 2. The molecular geometry was optimized using Hartree-Fock and Density Functional Theory (DFT) (B3LYP) method with the 6-31G(d) basis set. Molecular electrostatic potentiel (MEP) and frontier molecular orbitals (FMO) were executed by the HF/6-31G(d) method.

Kaynakça

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Ayrıntılar

Birincil Dil

Türkçe

Konular

-

Bölüm

-

Yazarlar

Buse Ferah

Yayımlanma Tarihi

25 Ağustos 2016

Gönderilme Tarihi

19 Şubat 2016

Kabul Tarihi

-

Yayımlandığı Sayı

Yıl 2016 Cilt: 4 Sayı: 2

DOI

https://doi.org/10.20290/btdb.37720

IZ

https://izlik.org/JA56UG95PP

APA

Ferah, B. (2016). A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi - B Teorik Bilimler, 4(2), 74-90. https://doi.org/10.20290/btdb.37720

AMA

1.Ferah B. A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES. AUBTD-B. 2016;4(2):74-90. doi:10.20290/btdb.37720

Chicago

Ferah, Buse. 2016. “A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES”. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi - B Teorik Bilimler 4 (2): 74-90. https://doi.org/10.20290/btdb.37720.

EndNote

Ferah B (01 Ekim 2016) A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi - B Teorik Bilimler 4 2 74–90.

IEEE

[1]B. Ferah, “A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES”, AUBTD-B, c. 4, sy 2, ss. 74–90, Eki. 2016, doi: 10.20290/btdb.37720.

ISNAD

Ferah, Buse. “A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES”. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi - B Teorik Bilimler 4/2 (01 Ekim 2016): 74-90. https://doi.org/10.20290/btdb.37720.

JAMA

1.Ferah B. A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES. AUBTD-B. 2016;4:74–90.

MLA

Ferah, Buse. “A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES”. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi - B Teorik Bilimler, c. 4, sy 2, Ekim 2016, ss. 74-90, doi:10.20290/btdb.37720.

Vancouver

1.Buse Ferah. A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES. AUBTD-B. 01 Ekim 2016;4(2):74-90. doi:10.20290/btdb.37720

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A comparative study on 2-(2-benzylidenehydrazinyl)-4-(3-methyl-3-phenylcyclobutyl) thiazole : X-ray, HF and DFT studies

Öz

A COMPARATIVE STUDY ON 2-(2-BENZYLIDENEHYDRAZINYL)-4-(3-METHYL-3- PHENYLCYCLOBUTYL) THIAZOLE : X-RAY, HF AND DFT STUDIES

Öz

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Cited By

A novel method for the synthesis and characterization of 10-hexyl-3-(1-hexyl-4, 5-diphenyl-1H-imidazol-2-yl)-10H-phenothiazine: DFT computational, in vitro anticancer and in silico molecular docking studies

Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterizations and quantum computational assessments of 1‑hydroxy-3-methyl-11H-pyrido[2,1-b] quinazolin-11-one