Crystal structure, Spectroscopy and theoretical studies of p-cianobenzesulfonamide and a Cu(II) complex.

G. ESTIU; M.E. CHACÓN VILLALBA; G.E.CAMÍ; G. ECHEVERRIA; D.B.SORIA

JOURNAL OF MOLECULAR STRUCTURE

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2012 vol. 1024 p. 110 - 116

0022-2860

Two new complexes of Ni and Zn with 4-Chloro-2-nitrobenzenesulfonamide (ClNbsa) have been synthesized and characterized. The structure of the complex, [Ni(ClNbsa)2(NH3)4] was determined by X-ray diffraction methods. It crystallizes in the monoclinic P21/c space group with a=12.8679(3), b=7.7254(1), c= 12.2478(2) Å, b= 109.899(2)°, V=1144.85(4) Å3 and Z=4 molecules per unit cell. The coordination geometry of the Nickel (II) ion in the complex can be described as a distorted octahedral with two N-sulfonamide and four NH3 in opposite vertices.  The cell parameters of the Zn complex were determined indexing the powder X-ray pattern by the successive dichotomy method implemented in the Fullprof Suite software package. It crystallizes in triclinic system with a=18.37(1), b= 7.947(8), c=10.221(9) Å,  a= 63.06(9), b=108.75(6), g=109.15(6)°  and V=1230(2) Å3. Vibrational and electronic properties have been used to characterize the compounds, using theoretical calculations for the assignment of the experimental bands.. The thermal behavior was investigated by thermogravimetric analyses (TG) and differential thermal analysis (DT).