Abstract:

The title compound delavirdine (C₂₃H₃₂N₆O₄S) has been synthesized from nicotinamide, 4nitrophenylhydrazine and ethyl pyruvate. It was characterized by means of ¹H NMR and ¹³C NMR. Its crystal and molecular structures were determined by Xray diffractometry. It belongs to the orthorhombic system, with space group P2₁2₁2₁ with a=1.096 9(4)nm, b=1.152 5(4)nm, c=1.951 0(7)nm, α=90°, β=90°, γ=90°, V=2.468 5(15) nm³, Mr=488.61, Z=4, Dc=1.315 g/cm³, λ=0.071 073 nm, μ=0.172 mm^-1, F(000)=1 040, the final R=0.040 7 and wR=0.090 5. A total of 14 875 reflections were collected, of which 4 851 were independent (Rint=0.040 7) and 4 099 were observed with I>2σ(I).

Key words: anti-HIV-1 drug, delavirdine, crystal structure