The synthesis and crystal structure of [M{H2B(tz*)2}2(H2O)] (M=Cu, Zn and tz*=3,5-dimethyl-1,2,4-triazole)

Abstract New ligand [KH 2 B(tz * ) 2 ] (tz*=3,5-dimethyl-1,2,4-triazolyl) has been synthesized and the reactions of two different metal salts (copper and zinc) with the new ligand in agar gave two similar crystalline polymorphic forms: [Cu{H 2 B(tz * ) 2 } 2 (H 2 O)] ( 1 ) and [Zn{H 2 B(tz * ) 2 } 2 (H 2 O)] ( 2 ). A single crystal X-ray study revealed that the compound 1 was the monoclinic system with space group C2/c and a =8.462(3) A, b =14.039(6) A, c =19.991(8) A, β =94.622(7)°, Z =4, R 1 =0.0451, wR 2 =0.1110. And the compound 2 was the monoclinic system with space group C2/c and a =8.4214(4) A, b =13.8765(7) A, c =20.2969(6) A, β =95.615(2)°, Z =4, R 1 =0.0667, wR 2 =0.1375. The metal(II) ion in the complex is five-coordinated with four nitrogen atoms which come from triazolyl and one oxygen atom which come from water molecular. In both compounds, the hydrogen atoms of water molecule are connected by hydrogen bonding with N atoms of two adjacent complex molecules to form 2-D planes. The spectroscopic results are consistent with the crystallographic study.