The synthesis and structural properties of a chlorido-bis-{N-[(4-meth-oxy-phen-yl)imino]-pyrrolidine-1-carboxamide}-zinc(II) (aceto-nitrile)-trichlorido-zincate coordination complex

氯代双{N-[(4-甲氧基苯基)亚氨基]-吡咯烷-1-甲酰胺}-锌(II)(乙腈)-三氯锌酸根配位化合物的合成及结构性质

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Abstract

The title complex, [ZnCl(C(12)H(15)N(3)O(2))(2)][ZnCl(3)(CH(3)CN)], was synthesized and its structure was fully characterized through single-crystal X-ray diffraction analysis. The complex crystallizes in the ortho-rhom-bic system, space group Pbca (61), with a central zinc atom coordinating one chlorine atom and two pyrrolidinyl-4-meth-oxy-phenyl azoformamide ligands in a bidentate manner, utilizing both the nitro-gen and oxygen atoms in a 1,3-heterodiene (N=N-C=O) motif for coordinative bonding, yielding an overall positively (+1) charged complex. The complex is accompanied by a [(CH(3)CN)ZnCl(3)](-) counter-ion. The crystal data show that the harder oxygen atoms in the heterodiene zinc chelate form bonding inter-actions with distances of 2.002 (3) and 2.012 (3) Å, while nitro-gen atoms are coordinated by the central zinc cation with bond lengths of 2.207 (3) and 2.211 (3) Å. To gain further insight into the inter-molecular inter-actions within the crystal, Hirshfeld surface analysis was performed, along with the calculation of two-dimensional fingerprint plots. This analysis revealed that H⋯H (39.9%), Cl⋯H/H⋯Cl (28.2%) and C⋯H/H⋯C (7.2%) inter-actions are dominant. This unique crystal structure sheds light on arrangement and bonding inter-actions with azo-formamide ligands, and their unique qualities over similar semicarbazone and azo-thio-formamide structures.

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