Crystal and Molecular Structures of C6H5CH2SOCH2CONHCH2C6H5 and C6H5SOCH2CON(iC3H7)2

Abstract  The crystal structures for two of the ligands C₆H₅CH₂SOCH₂CONHCH₂C₆H₅ (1) and C₆H₅SOCH₂CON(ⁱC₃H₇)₂ (2) have been determined by X-ray diffraction. These compounds crystallize in orthorhombic system with space groups and cell parameters, Pca21(no. 29), a = 8.4600(5) ?, b = 5.3534(5) ?, c = 32.136(2) ?, V = 1455.42(15) ?³ and Pna21(no. 33) a = 17.5563(11) ?, b = 5.7902(4) ?, c = 14.2866(9) ?, V = 1452.30(16) ?³, respectively. These molecules are stabilized in solid state by various intra and intermolecular hydrogen bonding interactions to give polymeric structures. The reported IR spectra of these compounds in solid state could be explained on the basis of the observed intermolecular hydrogen bonding interactions. Index Abstract  The title compounds C₆H₅CH₂SOCH₂CONHCH₂C₆H₅ (1) and C₆H₅SOCH₂CON(ⁱC₃H₇)₂ (2) were prepared by the oxidation of corresponding sulfides with H₂O₂/SeO₂ in methanol and their structures were determined. The structures show that the SO and CO groups are having “anti” configuration in 1 and “syn” configuration in 2. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.