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Molecular and crystal structure of a copper(II) complex of sildenafil

Akhmatkhodja N. YunuskhodjayevShokhista F. IskandarovaTashkent Pharmaceutical Institute , Aybek Str., 45 , 100015 , Tashkent , UzbekistanVahobjon Kh. SabirovInnovation Center of Pharmacy , 46 Building, 19 Quarter , Yunusabad District , 100114 , Tashkent , Uzbekistan
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Abstract The crystal structure of a copper(II) complex of protonated sildenafil, CuCl 3 C 22 H 31 N 6 O 4 S⋅2H 2 O was studied by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P 2 1 / n with the unit cell parameters a = 15.4292(2), b = 9.06735(12), c = 21.1752(2) Å, V = 2945.48(7) Å 3 , Z = 4. The Cu atom is coordinated by the sildenafil ligand via the N2 atom of the pyrazolopyrimidine ring and by three chloride anions. Sildenafil is protonated at the methylated N6 atom of the piperazine ring and it is cation ligand with a 1+ charge.

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