Synthesis and molecular structure investigation by DFT and X-Ray diffraction of ARNO

N Benhalima, K Toubal, A Chouaih, G Chita…

Index: Benhalima, Nadia; Toubal, Khaled; Chouaih, Abdelkader; Chita, Giuseppe; Maggi, Sabino; Djafri, Ayada; Hamzaoui, Fodil Journal of Chemical Crystallography, 2011 , vol. 41, # 11 p. 1729 - 1736

Full Text: HTML

Citation Number: 4

Abstract

Abstract We report here the synthesis of (Z)-5-(4-nitrobenzyliden)-3-N (2-ethoxyphenyl)-2- thioxo-thiazolidin-4-one (ARNO) compound. The crystal structure has been determined by X- ray diffraction. The compound crystallizes in the triclinic system with space group P ̄ 1 and cell parameters: a= 9.1289 (19), b= 9.3717 (7), c= 12.136 (3) Å, α= 102.133 (11)°, β= 90.99 (2)°, γ= 117.165 (9)°, V= 895.4 (3) Å 3 and Z= 2. The structure has been refined to a final R ...