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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Abstract

The title molecule, C19H22N6O2S2, has crystallographically imposed C2 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)° and the dihedral angle between the planes of the benzene rings is 75.20 (7)°. In the crystal, N-H⋯O and N-H⋯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 unitcell 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, 9-18] in PLATON. The stated crystal data for Mr, μ etc. do not take these into account.

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Mague, J. T., Mohamed, S. K., Akkurt, M., Younes, S. H. H., & Albayati, M. R. (2015). Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamothioylamino)imino]methyl}-phenoxy)propoxy]phenyl}methylidene)-amino]thiourea with an unknown solvate. Acta Crystallographica Section E: Crystallographic Communications, 71(7), o530–o531. https://doi.org/10.1107/S2056989015012074

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