Nura Suleiman Gwaram - Aqua{2-morpholino-N-[1-(2-pyridyl)- ethylidene]ethanamine-j3N,N0,N00}- bis(thiocyanato-jN)cobalt(II)

Version 1

      Publication Details (including relevant citation   information):

      Acta Cryst. (2011). E67, m205 [ doi:10.1107/S160053681100136X   ]
      Aqua{2-morpholino-N-[1-(2-pyridyl)ethylidene]ethanamine-   3N,N',N''}bis(thiocyanato-
      N)cobalt(II)
      N. Suleiman Gwaram, N. A. Ikmal Hisham, H. Khaledi and H. Mohd   Ali

      Department of Chemistry, University of Malaya, 50603 Kuala   Lumpur, Malaysia
      Correspondence e-mail: khaledi@siswa.um.edu.my
      Received 30 December 2010; accepted 10 January 2011
      Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C)   = 0.007 A°
      ;
      R factor = 0.055; wR factor = 0.137; data-to-parameter ratio =   14.6.

      Abstract:

      In the title complex, [Co(NCS)2(C13H19N3O)(H2O)], the CoII
      ion is six-coordinated by the N,N0,N00-tridentate Schiff   base,
      the N atoms of two thiocyanate ligands and one water
      molecule in a distorted octahedral geometry. Intramolecular
      C—H N and C—H O hydrogen bonds occur. In the
      crystal, intermolecular O—H O, O—H S, C—H S and
      S S [3.5546 (18) A ° ] interactions result in an infinite   threedimensional
      network.

      The crystal structure of the title CoII complex is isostructural   with the previously reported NiII complex (Suleiman Gwaram
      et al., 2011). The Schiff base, prepared in situ, acts as an   N,N',N''-tridentate ligand towards the CoII ion to form two   fivemembered
      chelate rings with the metal atom. Two cis-located isothiocyanate   and one water molecule complete a distorted
      octahedral geometry around the Co(II) center. A similar   arrangement was observed in a related CoII complex (Sun et   al.,
      2007). The molecular structure contains intramolecular C—H···N   and C—H···O hydrogen bonds. In the crystal, the adjacent
      molecules are connected via O—H···O, O—H···S, C—H···S hydrogen   bonds into infinite layers parallel to the ac plane. The
      layers are further linked into a three-dimensional polymeric   structure through an S···S interaction [3.5546 (18) Å]   between
      S1 and S2 of the symmetry related molecule at –x+1, y - 1/2, -z +   3/2.

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