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Crystal structure of bis ­ (1,10-phenanthroline- κ 2 N , N ′ )(1,3-thia ­ zole-2-thiol ­ ato- κ 2 S 2 , N )nickel(II) hexa ­ fluorido ­ phosphate 1,4-dioxane sesquisolvate

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ABSTRACT

The title salt, [Ni(C3H2NS2)(C12H8N2)2]PF6·1.5C4H8O2, was the unexpected product on making an attempt to prepare an [Ni(2-mercapto­thia­zol­ate)(1,10-phenanthroline)]+ complex by reaction of [NiCl2(1,10-phen­an­throline)] with 2-mercapto­thia­zolate. In the resulting complex, the 2-mercapto­thia­zolate anion acts as a chelating ligand, which coordinates to the NiII ion with the thia­zolyl N and thiol­ate S atoms. In the crystal, π–π stacking inter­actions between the coordinating 1,10-phenanthroline mol­ecules of adjacent complexes result in a zigzag chain running parallel to the c axis. Weak C—H⋯X (X = O, F) hydrogen-bonding inter­actions between the chains and 1,4-dioxane solvent mol­ecules and PF6− counter-anions lead to the formation of sheets parallel to the ac plane.

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The structures of the mol­ecular entities in the title salt, shown with 50% probability displacement ellipsoids. [Symmetry code: (i) 1 − x, −y, 1 − z.]
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fig1: The structures of the mol­ecular entities in the title salt, shown with 50% probability displacement ellipsoids. [Symmetry code: (i) 1 − x, −y, 1 − z.]

Mentions: The title salt consists of a complex cation [Ni(tzS)(phen)2]+, one PF6− counter-anion, and 1.5 1,4-dioxane solvent mol­ecules of crystallization (one located about a centre of inversion), as shown in Fig. 1 ▸. The nickel(II) atom exhibits a considerably distorted octa­hedral N5S coordination environment, which is constructed from one bidentate tzS and two bidentate phen ligands whereby the tzS ligand chelates to the NiII atom through the thia­zolyl N and thiol­ate S atoms. Selected bond lengths and angles are gathered in Table 1 ▸. These values are very similar to that of related Ni complexes with bidentate 2-mercaptobenzo­thia­zolate ligands (Raper et al., 1990b ▸; Ballester et al., 1994 ▸; Khan et al., 2010 ▸). The narrow bite angle involving the tzS ligand (Table 1 ▸) is due to formation of a four-membered chelate ring. The averaged Ni—N(phen) distances and bite angles are 2.08 Å and 80.2°, which are typical values for Ni–phen complexes (Bouzaid et al., 2012 ▸).


Crystal structure of bis ­ (1,10-phenanthroline- κ 2 N , N ′ )(1,3-thia ­ zole-2-thiol ­ ato- κ 2 S 2 , N )nickel(II) hexa ­ fluorido ­ phosphate 1,4-dioxane sesquisolvate
The structures of the mol­ecular entities in the title salt, shown with 50% probability displacement ellipsoids. [Symmetry code: (i) 1 − x, −y, 1 − z.]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC5382628&req=5

fig1: The structures of the mol­ecular entities in the title salt, shown with 50% probability displacement ellipsoids. [Symmetry code: (i) 1 − x, −y, 1 − z.]
Mentions: The title salt consists of a complex cation [Ni(tzS)(phen)2]+, one PF6− counter-anion, and 1.5 1,4-dioxane solvent mol­ecules of crystallization (one located about a centre of inversion), as shown in Fig. 1 ▸. The nickel(II) atom exhibits a considerably distorted octa­hedral N5S coordination environment, which is constructed from one bidentate tzS and two bidentate phen ligands whereby the tzS ligand chelates to the NiII atom through the thia­zolyl N and thiol­ate S atoms. Selected bond lengths and angles are gathered in Table 1 ▸. These values are very similar to that of related Ni complexes with bidentate 2-mercaptobenzo­thia­zolate ligands (Raper et al., 1990b ▸; Ballester et al., 1994 ▸; Khan et al., 2010 ▸). The narrow bite angle involving the tzS ligand (Table 1 ▸) is due to formation of a four-membered chelate ring. The averaged Ni—N(phen) distances and bite angles are 2.08 Å and 80.2°, which are typical values for Ni–phen complexes (Bouzaid et al., 2012 ▸).

View Article: PubMed Central - HTML - PubMed

ABSTRACT

The title salt, [Ni(C3H2NS2)(C12H8N2)2]PF6·1.5C4H8O2, was the unexpected product on making an attempt to prepare an [Ni(2-mercapto­thia­zol­ate)(1,10-phenanthroline)]+ complex by reaction of [NiCl2(1,10-phen­an­throline)] with 2-mercapto­thia­zolate. In the resulting complex, the 2-mercapto­thia­zolate anion acts as a chelating ligand, which coordinates to the NiII ion with the thia­zolyl N and thiol­ate S atoms. In the crystal, π–π stacking inter­actions between the coordinating 1,10-phenanthroline mol­ecules of adjacent complexes result in a zigzag chain running parallel to the c axis. Weak C—H⋯X (X = O, F) hydrogen-bonding inter­actions between the chains and 1,4-dioxane solvent mol­ecules and PF6− counter-anions lead to the formation of sheets parallel to the ac plane.

No MeSH data available.