TY - JOUR
T1 - Crystal structure and thermal decomposition mechanism of a 5-aminotetrazole copper(II) complex
AU - Chen, Hongyan
AU - Zhang, Tonglai
AU - Zhang, Jianguo
PY - 2012/2
Y1 - 2012/2
N2 - A novel 5-aminotetrazole mixed ligands complex of formula [Cu(PTS) 2(ATZ) 2(H 2O) 2] (C 16H 24CuN 10O 8S 2, PTS = p-toluenesulfonate, ATZ = 5-aminotetrazole) has been obtained by the reaction of 5-aminotetrazole with copper acetate and p-toluenesulfonic acid on heating in water. It was characterized by elemental analysis, FT-IR spectroscopy, and X-ray single crystal diffraction. The compound crystallizes in monoclinic system, space group P2 1/c, Z = 2, a = 14.079(4) Å , b = 6.088(3) Å , c = 14.632(4) Å , β = 105.268(4)°, V = 1209.8(5) Å 3. The central copper(II) cation is coordinated by two N atoms and four O atoms from two ATZ ligands, two water molecules and two p-toluenesulfonate ions to form a six-coordinated and distorted octahedral structure. Neutral ATZ is coordinated in the monodentate mode by the N(4) atom. The sulfonate group of the PTS ligand remains weak-coordinated modes and forms a number of hydrogen bonds with water molecule ligands and ATZ ligands. A supramolecular framework is connected by electrostatic interaction, weak coordinated bonding, hydrogen-bonding, and p-p interaction. The thermal decomposition mechanism of the title compound was predicted based on DSC, TG-DTG, and FT-IR analyses. Thermolysis of ATZ and its several derivatives is compared.
AB - A novel 5-aminotetrazole mixed ligands complex of formula [Cu(PTS) 2(ATZ) 2(H 2O) 2] (C 16H 24CuN 10O 8S 2, PTS = p-toluenesulfonate, ATZ = 5-aminotetrazole) has been obtained by the reaction of 5-aminotetrazole with copper acetate and p-toluenesulfonic acid on heating in water. It was characterized by elemental analysis, FT-IR spectroscopy, and X-ray single crystal diffraction. The compound crystallizes in monoclinic system, space group P2 1/c, Z = 2, a = 14.079(4) Å , b = 6.088(3) Å , c = 14.632(4) Å , β = 105.268(4)°, V = 1209.8(5) Å 3. The central copper(II) cation is coordinated by two N atoms and four O atoms from two ATZ ligands, two water molecules and two p-toluenesulfonate ions to form a six-coordinated and distorted octahedral structure. Neutral ATZ is coordinated in the monodentate mode by the N(4) atom. The sulfonate group of the PTS ligand remains weak-coordinated modes and forms a number of hydrogen bonds with water molecule ligands and ATZ ligands. A supramolecular framework is connected by electrostatic interaction, weak coordinated bonding, hydrogen-bonding, and p-p interaction. The thermal decomposition mechanism of the title compound was predicted based on DSC, TG-DTG, and FT-IR analyses. Thermolysis of ATZ and its several derivatives is compared.
KW - 5-Aminotetrazole
KW - Copper(II) complex
KW - Crystal structure
KW - P-Toluenesulfonate
KW - Thermolysis
UR - http://www.scopus.com/inward/record.url?scp=84862670908&partnerID=8YFLogxK
U2 - 10.1007/s11224-011-9791-2
DO - 10.1007/s11224-011-9791-2
M3 - Article
AN - SCOPUS:84862670908
SN - 1040-0400
VL - 23
SP - 153
EP - 159
JO - Structural Chemistry
JF - Structural Chemistry
IS - 1
ER -