A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-tert-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ3P,C1,P′]chloridonickel(II)

Pincer complexes can act as catalysts in organic transformations and have potential applications in materials, medicine and biology. They exhibit robust structures and high thermal stability attributed to the tridentate coordination of the pincer ligands and the strong σ metal–carbon bond. Nickel de...

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Published in:Acta crystallographica. Section C, Structural chemistry Structural chemistry, 2016-05, Vol.72 (5), p.393-397
Main Authors: García-Eleno, Marco A., Quezada-Miriel, Magdalena, Reyes-Martínez, Reyna, Hernández-Ortega, Simón, Morales-Morales, David
Format: Article
Language:English
Subjects:
Coordination Complexes - chemistry
crystal structure
Crystallization
Crystallography, X-Ray
Hydrogen Bonding
Ligands
Models, Molecular
Nickel - chemistry
nickel(II)
pincer complexes
POCOP ligand
polymorphs
weak interactions
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Summary:Pincer complexes can act as catalysts in organic transformations and have potential applications in materials, medicine and biology. They exhibit robust structures and high thermal stability attributed to the tridentate coordination of the pincer ligands and the strong σ metal–carbon bond. Nickel derivatives of these ligands have shown high catalytic activities in cross‐coupling reactions and other industrially relevant transformations. This work reports the crystal structures of two polymorphs of the title NiII POCOP pincer complex, [Ni(C29H41N2O8P2)Cl] or [NiCl{C6H2‐4‐[OCOC6H4‐3,5‐(NO2)2]‐2,6‐(OPtBu2)2}]. Both pincer structures exhibit the NiII atom in a distorted square‐planar coordination geometry with the POCOP pincer ligand coordinated in a typical tridentate manner via the two P atoms and one arene C atom via a C—Ni σ bond, giving rise to two five‐membered chelate rings. The coordination sphere of the NiII centre is completed by a chloride ligand. The asymmetric units of both polymorphs consist of one molecule of the pincer complex. In the first polymorph, the arene rings are nearly coplanar, with a dihedral angle between the mean planes of 27.9 (1)°, while in the second polymorph, this angle is 82.64 (1)°, which shows that the arene rings are almost perpendicular to one another. The supramolecular structure is directed by the presence of weak C—H…O=X (X = C or N) interactions, forming two‐ and three‐dimensional chain arrangements. In two polymorphs of the NiII POCOP pincer complex, the NiII atom is found in a distorted square‐planar coordination geometry. In the first polymorph, the arene rings are nearly coplanar, while in the second polymorph, the arene rings are almost perpendicular to one another. The supramolecular structure is directed by the presence of weak C—H…O=X (X = C or N) interactions, forming two‐ and three‐dimensional chain arrangements.
ISSN:2053-2296
2053-2296
DOI:10.1107/S2053229616005143