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Crystal structure of di-ethano-lbis(thio-cyanato)-bis(urotropine)cobalt(II) and tetra-ethano-lbis(thio-cyanato)-cobalt(II)-urotropine (1/2).

ABSTRACT: The reaction of one equivalent Co(NCS)2 with four equivalents of urotropine (hexa-methyl-ene-tetra-mine) in ethanol leads to the formation of two compounds, namely, bis-(ethanol-κO)bis-(thio-cyanato-κN)bis-(urotropine-κN)cobalt(II), [Co(NCS)2(C6H12N4)2(C2H6O)2] (1), and tetra-kis-(ethanol-κO)bis-(thio-cyanato-κN)cobalt(II)-urotropine (1/2), [Co(NCS)2(C2H6O)4]·2C6H12N4 (2). In 1, the Co cations are located on centers of inversion and are sixfold coordinated by two terminal N-bonded thio-cyanate anions, two ethanol and two urotropine ligands whereas in 2 the cobalt cations occupy position Wyckoff position c and are sixfold coordinated by two anionic ligands and four ethanol ligands. Compound 2 contains two additional urotropine solvate mol-ecules per formula unit, which are hydrogen bonded to the complexes. In both compounds, the building blocks are connected via inter-molecular O-H⋯N (1 and 2) and C-H⋯S (1) hydrogen bonding to form three-dimensional networks.

SUBMITTER: Krebs C 

PROVIDER: S-EPMC8739191 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature

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Crystal structure of di-ethano-lbis(thio-cyanato)-bis(urotropine)cobalt(II) and tetra-ethano-lbis(thio-cyanato)-cobalt(II)-urotropine (1/2).

Krebs Christoph C   Jess Inke I   Ceglarska Magdalena M   Näther Christian C  

Acta crystallographica. Section E, Crystallographic communications 20220101 Pt 1

The reaction of one equivalent Co(NCS)<sub>2</sub> with four equivalents of urotropine (hexa-methyl-ene-tetra-mine) in ethanol leads to the formation of two compounds, namely, bis-(ethanol-κ<i>O</i>)bis-(thio-cyanato-κ<i>N</i>)bis-(urotropine-κ<i>N</i>)cobalt(II), [Co(NCS)<sub>2</sub>(C<sub>6</sub>H<sub>12</sub>N<sub>4</sub>)<sub>2</sub>(C<sub>2</sub>H<sub>6</sub>O)<sub>2</sub>] (<b>1</b>), and tetra-kis-(ethanol-κ<i>O</i>)bis-(thio-cyanato-κ<i>N</i>)cobalt(II)-urotropine (1/2), [Co(NCS)<sub>2</  ...[more]

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