4’-Metil-3-Fenilakrilofenon Bileşiğinin Moleküler ve Kristal Yapı Analizi

Year 2019, Volume: 8 Issue: 1, 11 - 18, 12.03.2019

Hasan İnaç , Nermin Kahveci Yağcı

https://doi.org/10.17798/bitlisfen.451575

Abstract

Bileşiğin kristal yapısı (C16H14O) 296 K’de tayin edildi. Tek kristal bileşiğin yapısı tek kristal X-ışını kırınımı yöntemi kullanılarak belirlendi. Kristal yapının birim hücre parametreleri a=14.9921(9) Å, b=9.8460(4) Å, c=17.5570(11) Å, α=90°, β=105.721(5)°, γ=90° ve Z=8 dir. Bileşik monoklinik yapıda kristalleşmiş olup uzay grubu C 2/c’dir. Kristal yapıda moleküller arası C-H… O hidrojen bağları, (Bu C-H… O hidrojen bağları zayıf etkileşimli bağlardır) molekülleri üç boyutlu bir ağa bağlar. Bu zayıf etkileşimler, moleküllerin sentrosimetrik dimerik yapı oluşturmasına neden olur.

Keywords

Metilfenil, Kristal Yapı, Fenilakrilofenon, Sentrosimetrik Dimer

References

• 1. URL-1 http://apps.who.int/iris/bitstream/10665/137094/1/9789241564809_eng.pdf, (28.03.2017).
• 2. Magiorakos A.P., Srinivasan A., Carey R.B., Carmeli Y., Falagas M.E., Giske C.E., Harbarth S., vd. 2012. Multidrugresistant, extensively drug-resistant and pandrug-resistant bacteria: an international expert proposal for interim standard definitions for acquired resistance, Clinical Microbiolgy and Infection, 18, 268-281.
• 3. Tiwari R., Moraski G.C., Krchnak V., Miller P.A., Martinez M.C., Herrore E., Oliver A.G., Miller M. J. 2013. Thiolates chemically induce redox activation of BTZ043 and related potent nitroaromatic anti-tuberculosis agents. Journal of the American Chemical Society, 135, 3539-3549.
• 4. Mahapatra D.K., Bharti S.K., Asati V. 2015. Chalcone scaffolds as antiinfective agents: Structural and molecular target perspectives. European Journal Medicinal Chemistry, 11, 496–524. 5. Rabinovich D., Shakked Z. 1974. Optical Induction in Chiral Crystals. I. The Crystal and Molecular Structures of 4,4’-Dimethylchalcone, Acta Crystallographica Section B., B30, 2829-2834.
• 6. Toda F., Tanaka K., Kato M. 1998. J. Chem. Soc. Perkin Trans. 1, pp. 1315–1318.
• 7. Treadwell E.M. 2006. 4-Methylchalcone. Acta Crystallographica Section E, E62, o5899-o5900.
• 8. Rabınovich D. 1970. J. Chem. Soc. (B), pp. 11-16.
• 9. Stoe C. 2002. X-Area(Version 1.18) ve X-Red32 (Version 1.04), Stoe ve Cie, Darmstadt, Germany.
• 10. Farrugia L.J. 2012. WinGX and ORTEP for Windows: an update, Journal Applied Crystallography, 45, 849-854.
• 11. Sheldrick G.M. 2015. Acta Crystallographica Section A, A71, 3-8.
• 12. Spek A.L. 2009. Structure validation in chemical crystallography, Acta Crystallographica Section D, D65, 148-155.
• 13. Raghavendra S., Chidankumar C.S., Jayarama A., ve Dharmaprakash S.M. 2015. 1-[4-(methylsulfanyl) phenyl]-3-(4-nitropshenyl) prop-2-en-1-one: A reverse saturable absorption based optical limiter, Materials Chemistry and Physics, 149, 487-494.
• 14. Ekbote A., Patil P.S., Maidur S.R., Chia T.S., ve Quah C.K. 2017. Structure and nonlinear optical properties of (E)-1-(4-aminophenyl)-3-(3-chlorophenyl) prop-2-en-1-one: A promising new D-p-A-p-D type chalcone derivative crystal for nonlinear optical devices, Journal of Molecular Structure, 1129, 239-247.
• 15. Zainuri D.A., Arshad S., Khalib N.C., Razak I.A., vd. 2017. Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, 1H and 13C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative, (E)-1-(4-bromophenyl)-3-(4-iodophenyl)prop-2-en-1-one. Journal of Molecular Structure, 1128, 520-533.