Yayınlanmış 1 Ocak 2017
| Sürüm v1
Dergi makalesi
Açık
Structure determination of two structural analogs, named 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16F2N4S) and 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16ClFN4S) by synchrotron X-ray powder diffraction
Oluşturanlar
- 1. Hacettepe Univ, Fac Engn, Dept Phys Engn, TR-06800 Ankara, Turkey
- 2. Hacettepe Univ, Dept Pharmaceut Chem, Fac Pharm, TR-06100 Ankara, Turkey
- 3. Ruhr Univ Bochum, Inst Geol Mineral & Geophys, Dept Crystallog, D-44780 Bochum, Germany
Açıklama
Two novel compounds, 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16F2N4S) (1) and3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16ClFN4S) (2), have been designed and synthesized as cytotoxic agents. The compounds were characterized by infrared, proton nuclear magnetic resonance, mass spectral data, elemental analysis and X-ray powder diffraction. The present study comprises spectral data and crystal structures of these novel compounds determined from synchrotron X-ray powder diffraction data. The structure solutions were obtained by simulated annealing. The final structures were achieved by Rietveld refinement using soft restraints for all bond lengths, bond angles, and planar groups. Both compounds crystallize in space group P (1) over bar, Z = 2, with the unit- cell parameters a = 6.37433( 9), b = 11.3641(2), c = 14.09115( 19) A, alpha = 80.1740(8)degrees, beta = 85.1164( 8)degrees, gamma = 80.9831( 10)degrees, V = 991.55(3) angstrom(3) of compound (1) and a = 6.53736(6), b = 11.55725( 15), c = 14.01373(13) A, alpha= 80.3323(7)degrees, ss = 84.8939(6)degrees, gamma= 79.3954(8)degrees, V = 1024.08(2) angstrom(3) of compound (2). Structural analyses reveal that the title compounds are isostructural. (c) 2017 International Centre for Diffraction Data.
Dosyalar
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Dosyalar
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