Estudo cristaloquímico de dois derivados do lapachol utilizando a difraçao de raios X

Abstract

This work presents a crystallochemistry study of two lapachol derivative compounds, 2-hydroxy-3-(2-methyl-propenyl)1,4-naftoquinone (nl) and 2-acetoxy-3-(3- methyl-1-butenyl)-1,4-naftoquinone (ail). The nl compound crystallizes in the monoclinic system and belongs to space group P21/c, with parameters a = 4.3564(2) Å, b = 16.4069(8) Å, c = 15.8598(7) Å, β = 94.793(2) Å, with volume: V = 1129.62 Å3, Z = 4 molecules per unit cell, Dc = 1.342 g/cm3. The intensities of the reflexions were collected on a KappaCCD automatic diffractomer equipped with a graphite monochromator and using MoKα radiation. From the 2585 independents reflections measured, 2585 with F > 4σ(F) were considered observed. The final disagreement factor R was 0.0751 for the reflections considered observed and 0.1029 for all the reflections. The ail compound crystallize in the monoclinic system and belongs to space group P21/c, with parameters, a = 9.4070(2) Å, b = 5.4251(1) Å, c = 28.8110(7) Å, β = 95.671(10) Å, with a volume: V = 1463.14 Å3, Z = 4 molecules for unit cell, Dc = 1.291 g/cm3. From the 2573 independents reflections measured, 2573 with F > 4σ(F) were considered observed. The final disagreement factor R was 0.0550 for the reflections considered observed and 0.0786 for all the reflections.