Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamothioylamino)imino]methyl}-phenoxy)propoxy]phenyl}methylidene)-amino]thiourea with an unknown solvate

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Mague J. T. , Mohamed S. K. , AKKURT M. , Younes S. H. H. , Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.71, 2015 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 71
  • Publication Date: 2015
  • Doi Number: 10.1107/s2056989015012074


The title molecule, C19H22N6O2S2, has crystallographically imposed C-2 symmetry, with the central C atom lying on the rotation axis. The O-C-C-C torsion angle for the central chain is -59.22 (16)degrees and the dihedral angle between the planes of the benzene rings is 75.20 (7)degrees. In the crystal, N-H center dot center dot center dot O and N-H center dot center dot center dot S interactions link the molecules, forming a three-dimensional network encompassing channels running parallel to the c axis, which account for about 20% of the unit-cell volume. The contribution to the scattering from the highly disordered solvent molecules in these channels was removed with the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 918] in PLATON. The stated crystal data for M-r, mu etc. do not take these into account.