MS32-P22 Structural Determination of Biological Active N-phenyl-2-phthalimidoethanesulfonamide Derivatives Muhittin Aygün (Physics, Dokuz Eylül University, İzmir, Turkey) Resul Sevinçek (Physics,Dokuz Eylül University, İzmir, Turkey) Duygu Barut Celepci (Physics,Dokuz Eylül University, İzmir, Turkey) Özlem Akgül (Pharmaceutical Chemistry, Ege University, İzmir, Turkey)email: muhittin.aygun@deu.edu.trThis study contains the structural characterization of unsubstituted N-phenyl-2-phthalimidoethanesulfonamide, C16H14N2O4S, (I), the N-(4- nitrophenyl)-, C16H13N3O6S, (II), N-(4-methoxyphenyl)-, C16H16N3O6S, (III), and N-(2-ethylphenyl)-, as the monohydrate, C18H18N2O4S·H2O, (IV), derivatives in order to determine the impact of different substituents and their positions on intermolecular interactions and ultimately on the crystal packing. Studies of the effects of substituents on aromatic systems are of critical importance in chemistry, biology and pharmaceutics. The π-electron delocalization brought about by the substituent affects the intermolecular interactions and the packing motifs of aromatic molecules in crystals. Changes in the positions of substituent groups can significantly alter the molecular configurations and crystal structures of isomers. A slight difference in molecular structure can lead to a profound impact on the crystal packing. X-ray structural studies were performed with Rigaku-Oxford Xcalibur diffractometer. Data collections and reductions along with absorption corrections were performed using CrysAlisPro software package [1]. Structure solutions and refinements were performed using SHELXT and SHELXL, respectively, embedded in the Olex2 [2-4].
 
References:

[1] CrysAlisPro Software System, Version 1.171.38.43, Rigaku Corporation, Oxford, UK, 2015.

[2] Sheldrick, G. M. (2015), Acta Crystallogr. A71, 3.

[3] Sheldrick, G. M. (2015), Acta Crystallogr. C71, 3,

[4] Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009), J Appl. Cryst. 42, 339.

Keywords: crystal structure, substituent position effect, ethane­sulfonamide