Synthesis and X-ray Structure Combined with Hirshfeld and AIM Studies on a New Trinuclear Zn(II)-Azido Complex with s-Triazine Pincer Ligand

Abstract

The trinuclear [Zn3(PMT)2(Cl4)(N3)2] complex of the N-pincer ligand, 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (PMT), was obtained by self-assembly of the polydentate ligand (PMT) with ZnCl2 in the presence of azide ion as an auxiliary bridging ligand. The X-ray structure analysis revealed a monoclinic crystal system and centrosymmetric space group C2/c. There are two crystallographically independent Zn(II) sites where the Zn1 and Zn2 are tetra- and penta-coordinated with ZnN2Cl2 and ZnN4Cl coordination environments, respectively. The distortion τ4 and τ5 parameters for the Zn1 and Zn2 sites are 0.93 and 0.52, respectively. Hence, the Zn(1)N2Cl2 has a distorted tetrahedral configuration, while the Zn(2)N4Cl coordination sphere is intermediate between the square pyramidal and trigonal bipyramidal configurations. In this complex, the PMT is a tridentate N-chelate, while the chloride and azide anions are terminal and μ(1,1) bridged ligands, respectively. The %H…H, N…H, Cl…H, and C…H are 40.8, 17.2, 16.0, and 10.1%, respectively, based on Hirshfeld analysis. The charges at the Zn1 (+0.996 e) and Zn2 (+1.067 e) sites are calculated to be less than the official charge of the isolated Zn(II) ion. The μ(1,1) bridged azide has two asymmetric N–N bonds with clear covalent characters. In contrast, the Zn–N and Zn–Cl bonds have predominant closed-shell characters.

A Novel Na(I) Coordination Complex with s-Triazine Pincer Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis, and Antimicrobial Activity

“…Moreover, substances containing pyrazoles are considered effective biological agents [44][45][46]. Among s-triazine derivatives, the 2,4-bis(3,5dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (bpmt) ligand has been extensively studied by our research team for many reasons [4,[47][48][49][50][51][52][53][54][55][56][57]. The bpmt ligand can be easily prepared with a high yield, and it is classified as a tridentate N-pincer ligand with different coordination behaviors.…”

A New 1D Ni (II) Coordination Polymer of s-Triazine Type Ligand and Thiocyanate as Linker via Unexpected Hydrolysis of 2,4-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine

“…In our previous work with s-triazine pincer ligands comprising two pyrazolyl arms, we reported the molecular and supramolecular structures of different metal pincer complexes with a bis-pyrazolyl-s-triazine ligand [3,6,20,[23][24][25][29][30][31][32][33][34][35][36][37][38][39][40][41][42]. Many homoleptic and heteroleptic complexes of this type with pincer ligands and divalent and trivalent metal ions were reported to have coordination numbers ranging from five to eight.…”

“…Many homoleptic and heteroleptic complexes of this type with pincer ligands and divalent and trivalent metal ions were reported to have coordination numbers ranging from five to eight. 2,4-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine is an interesting N-pincer ligand that continues to receive the interest of our research group (BPT; Figure 1) and was used for the synthesis of a large number of polymeric and discrete metal (II) complexes [29][30][31][32][33][34][35][36][37][38][39][40][41][42]. It is noted that the coordination behavior of the pincer bis-pyrazolyl-s-triazine ligand (BPT) depends on many factors, such as the type of metal ion, reaction conditions such as medium and temperature, as well as the nature of the counter anion.…”

“…As a continuation of our recent work concerning metal-s-triazine complexes with pseudohalides as auxiliary ligands [39,40], our current research is focused on the synthesis of a new polymeric Ni(II) complex with a s-triazine-type ligand employing SCN − as an auxiliary bridging ligand. The reaction was performed by mixing NiSO 4 .6H 2 O, the BPT ligand, and SCN in the presence of diluted sulfuric acid to increase the possibility of the hydrolysis of the BPT ligand, which in turn increases the possibility of obtaining the coordination polymer rather than the discrete complex.…”

A New Zn(II) Azido Complex of L-Arginine: X-ray Crystal Structure, Hirshfeld, and AIM Studies

“…In coordination chemistry, multi-dentate ligands play a significant role because they can form metal complexes with extra stability as a result of the chelate effect [5][6][7][8][9][10][11]. First row transition metals have a variety of coordination numbers and can be used to bind ligands to create coordination complexes with diverse of coordination geometries [12][13][14][15][16]. Consider the coordination structure of Zn(II) as an example; it is typically tetra-coordinated with tetrahedral geometry [17,18].…”