Abstract

The title compound, [Ni(NCS)2(C24H38N6)], is a thio­cyanate-coordinated aza­macrocyclic nickel(II) complex. There are two independent mol­ecules in the asymmetric unit and their bond lengths and angles are similar. Both Ni atoms have a tetra­gonally distorted octa­hedral geometry, in which the NiII ion is coordinated by the four secondary N atoms of the aza­macrocyclic ligand and by two N atoms of the thio­cyanate ions. The average equatorial Ni—N bond lengths are shorter than the average axial Ni—N bond lengths [2.071 (1) and 2.115 (2) Å, respectively]. N—H⋯S hydrogen-bonding inter­actions between a secondary amine N atom and the adjacent thio­cyanate ion leads to a polymeric chain along [100].

Highlights

  • The title compound, [Ni(NCS)2(C24H38N6)], is a thiocyanatecoordinated azamacrocyclic nickel(II) complex

  • The average equatorial Ni—N bond lengths are shorter than the average axial Ni—N bond lengths [2.071 (1) and 2.115 (2) A, respectively]

  • N—HÁ Á ÁS hydrogen-bonding interactions between a secondary amine N atom and the adjacent thiocyanate ion leads to a polymeric chain along [100]

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Summary

Jong Won Shina and Kil Sik Minb*

Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.009 A; R factor = 0.057; wR factor = 0.149; data-to-parameter ratio = 21.4. The title compound, [Ni(NCS)2(C24H38N6)], is a thiocyanatecoordinated azamacrocyclic nickel(II) complex. There are two independent molecules in the asymmetric unit and their bond lengths and angles are similar. Both Ni atoms have a tetragonally distorted octahedral geometry, in which the NiII ion is coordinated by the four secondary N atoms of the azamacrocyclic ligand and by two N atoms of the thiocyanate ions. Crystal data [Ni(NCS)2(C24H38N6)] Mr = 585.47 Orthorhombic, P212121 a = 8.5313 (5) Ab = 15.3141 (10) Ac = 44.004 (3) A

Siemens SMART CCD diffractometer
DÁ Á ÁA
Jong Won Shin and Kil Sik Min
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