MS32-P20 Molecular and Crystal Structure Analysis of Two New Oxazol-5-One Derivatives Merve İzmirli (Graduate School of Natural and Applied Science, Dokuz Eylül University, İzmir, Turkey) İbrahim Hanif Nazlı (Graduate School of Natural and Applied Science, Dokuz Eylül University, İzmir, Turkey) Derya Topkaya Taşkıran (Chemistry, Dokuz Eylül University, İzmir, Turkey) Serap Alp (Chemistry, Dokuz Eylül University, İzmir, Turkey) Muhittin Aygün (Physics, Dokuz Eylül University, İzmir, Turkey)email: izmirlimerve@yahoo.comTwo new oxazole-5-one derivatives, known as unsaturated azlactones, were synthesised due to the optical and biochemical importance [1,2].  These fluorescent molecules which are the cyclic anhydrides of N-acylaminoacids were formed by using Erlenmeyer azlactone reactions with aldehyde condensation. Molecular and crystal structures of 4-(N,N-diethylaminophenylmethylene)-2-(p-methoxyphenyl)oxazol-5-one (1) and 4-(N,N-diethylaminophenylmethylene)-2-(p-nitrophenyl)oxazol-5-one (2) have been determined by single crystal X-ray diffraction method. The data collections were carried out with Rigaku Oxford XCalibur diffractometer, cell refinements and data reductions were executed using CrysAlisPro program [3]. Using Olex2, structures were solved with the SHELXT structure solution program and refined by full-matrix least-squares against F2 using SHELXL refinement package. The crystal structure of the compound 1 is stabilized π – π, C – H…π and C – H…O type weak interactions, while the crystal structure of the compound 2 is stabilized intermolecular π – π, N – O… π and C – H…O type weak interactions. There are also intramolecular C – H…N type weak interactions for both molecules.References:

[1] Öztürk. G. et al. (2008). Dyes Pigm. 76, 792–798.

[2] Khan. K. M. et al. (2008). Lett. Drug Des. Discovery. 5, 52–56.

[3] CrysAlisPro Software System, Version 1.171.38.43, Rigaku Corporation, Oxford, UK, 2015.
Keywords: azlactone, X-ray crystallography, weak interactions