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Synthesis, Crystal Structure, and Characterization of three New Letrozole Complexes
Author(s) -
Tang YunZhi,
Zhou Man,
Huang Jun,
Cao Zan,
Qi TingTing,
Huang GuangHua,
Wen HeRui
Publication year - 2012
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201100426
Subject(s) - monoclinic crystal system , crystallography , denticity , octahedron , crystal structure , chemistry , infrared spectroscopy , stereochemistry , organic chemistry
Three new letrozole complexes {[Cu(Le) 4 Cl 2 ] · (H 2 O)} ( 1 ), {[Ni(Le) 4 Cl 2 ] · (H 2 O)}( 2 ) and {[Co(Le) 4 Cl 2 ] · (H 2 O)} ( 3 ) (Le = letrozole = 1‐[bis(4‐cyanophenyl)methyl]‐1, 2, 4‐triazole) were obtained from self‐assembly of CuCl 2 , NiCl 2 · 6H 2 O, and CoCl 2 · 6H 2 O with medicine letrozole. All compounds were characterized by IR spectroscopy, elemental, single‐crystal as well as powder X‐ray diffraction, and thermogravimetric analyses. The analyses of the structures indicate that all crystals belong to monoclinic system, space group C 2/ c , for complex 1 with crystal data a = 34.501(18) Å, b = 12.724(7) Å, c = 16.116(9) Å, β = 114.958(7) °, V = 6414(6) Å 3 , Z = 4, F (000) = 2660, R 1 = 0.0668, wR 2 = 0.1574; for complex 2 , a = 34.769(6) Å, b = 12.7267(18) Å, c = 16.046(2) Å, β = 115.281(3) °, V = 6420.1(16) Å 3 , Z = 4, F (000) = 2656, R 1 = 0.0510, wR 2 = 0.0896; for complex 3 , a = 35.063(8) Å, b = 12.658(3) Å, c = 16.056(4) Å, β = 115.387(3) °, V = 6438(2) Å 3 , Z = 4, F (000) = 2652, R 1 = 0.0528, wR 2 = 0.1205. The local arrangements around central metal atoms (Cu II , Ni II , and Co II ) can be best described as distorted octahedra which are constructed by two chlorine atoms and four monodentate nitrogen atoms from different letrozole ligands. XRD results of 1 – 3 show that all peaks displayed in the measured patterns at room temperature closely match those in the simulated patterns generated from single‐crystal diffraction data, indicating single phases of 1 – 3 were formed.