Abstract
In the title compound, [Ni(NCS)2(C11H17N3)(H2O)], the NiII ion is six-coordinated by the N,N′,N"-tridentate Schiff base N atoms, two cis-positioned N-bound isothiocyanate groups and one water molecule. In the crystal, O—H⋯S hydrogen bonds link adjacent molecules into infinite layers parallel to the ac plane. The layers are further connected into a three-dimensional network via C—H⋯π interactions. The –CH2–N(CH3)2 fragment is disordered over two sets of sites in a 0.556 (5):0.444 (5) ratio.
Highlights
In the title compound, [Ni(NCS)2(C11H17N3)(H2O)], the Ni ion is six-coordinated by the N,N0,N"-tridentate Schiff base N atoms, two cis-positioned N-bound isothiocyanate groups and one water molecule
H atoms treated by a mixture of independent and constrained refinement max = 0.58 e Å3
The layers are further connected into a threedimensional network via C—H interactions
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.58 e Å3. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.005 Å; disorder in main residue; R factor = 0.031; wR factor = 0.070; data-to-parameter ratio = 15.8. In the title compound, [Ni(NCS)2(C11H17N3)(H2O)], the Ni ion is six-coordinated by the N,N0 ,N"-tridentate Schiff base N atoms, two cis-positioned N-bound isothiocyanate groups and one water molecule. O—H S hydrogen bonds link adjacent molecules into infinite layers parallel to the ac plane. The layers are further connected into a threedimensional network via C—H interactions.
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