Serendipitous Synthesis of an Octahedral Ni(II) Complex: Single Crystal Structure, Hirshfeld Surface and Voids Analysis

• Published in: Journal of structural chemistry Vol. 65; no. 1; pp. 15 - 27
• Main Authors: Göktürk, T., Topkaya, C. G., Hökelek, T., Güp, R.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 2024; Springer Nature B.V
• Subjects: Atomic; Atomic/Molecular Structure and Spectra; Bonding strength; Chemistry; Chemistry and Materials Science; Crystal structure; Hydrogen bonding; Hydrogen bonds; Imines; Inorganic Chemistry; Molecular; Optical and Plasma Physics; Physical Chemistry; Single crystals; Solid State Physics; Surface analysis (chemical); X ray analysis; octahedral nickel(II) complex; crystal structure; Hirshfeld surface analysis; crystal voids
• ISSN: 0022-4766; 1573-8779
• DOI: 10.1134/S0022476624010025

The title compound, C 50 H 42 N 4 NiO 6 P 2 ·2(ClO 4 ) was synthesized serendipitously by the reaction of Ni(ClO 4 ) 2 ∙6H 2 O with newly synthesized Schiff base ligand and PPh 3 in MeOH and its molecular and crystal structures were determined by single crystal X-ray analysis. It belongs to triclinic system space group with a  = 10.7936(4) Å, b  = 12.2926(4) Å, c  = 19.6272(6) Å, α = 92.574(3)°, β  =  95.527(3)°, γ = 102.898(4)°, Z  = 2 and V  = 2520.73(15) Å 3 . In the crystal structure, the intra- and intermolecular N–H⋯O hydrogen bonds link the uncoordinated perchlorate anions to the mother molecule. A weak C–H⋯π interaction is also observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H…H (43.9%), H…O/O…H (30.9%) and H…C/C…H (18.5 %) interactions. Hydrogen bonding and Van der Waals interactions are the dominant interactions in the crystal packing. Analysis of crystal voids showed that there is not any large cavity in the crystal packing.