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X-ray powder diffraction investigations of phenol derivatives

机译:酚衍生物的X射线粉末衍射研究

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摘要

The X-ray powder diffraction patterns of three phenol derivatives-2-chlorophenol, 2,6-dichloro-4-nitrophenol, and 2,6-dichloro-phenoloindophenol tetrahydrate—were collected and the lattice parameters of these compounds were determined. The measurement for 2-chlorophenol was carried out at 250 K in a low-temperature chamber; this compound crystallizes in hexagonal system with a = 1.59602(8) nm, c = 0.59761(7) nm, space group P6 or P6_3/m. Investigated at room temperature, 2,6-dichloro-4-nitrophenol and 2,6-dichloro-phenoloindophenol tetrahydrate crystallize in the triclinic system with the unit cell parameters refined to a = 0.8169(2) nm, b = 1.6637(6) nm, c = 0.7440( 1) nm, α = 96.6(3)°, β =116.19(2)°, γ =78.68°, and space group P-1(2), and a = 0.7792(3) nm, b= 1.2795(4) nm, c = 0.7256(3) nm, α =91.17(5)°, β=96.93(4)°, γ = 85.41(3)°, and space group P-1(2), respectively.
机译:收集了三种酚衍生物-2-氯苯酚,2,6-二氯-4-硝基苯酚和2,6-二氯-苯酚吲哚酚四水合物的X射线粉末衍射图,并确定了这些化合物的晶格参数。 2-氯苯酚的测定是在250 K的低温室内进行的。该化合物以a = 1.59602(8)nm,c = 0.59761(7)nm,空间群P6或P6_3 / m的六方晶系结晶。在室温下进行研究,在三斜晶系中结晶出2,6-二氯-4-硝基苯酚和2,6-二氯-苯酚吲哚酚四水合物,其晶胞参数精确到a = 0.8169(2)nm,b = 1.6637(6)nm ,c = 0.7440(1)nm,α= 96.6(3)°,β= 116.19(2)°,γ= 78.68°,空间群P-1(2),a = 0.7792(3)nm,b分别为= 1.2795(4)nm,c = 0.7256(3)nm,α= 91.17(5)°,β= 96.93(4)°,γ= 85.41(3)°和空间群P-1(2) 。

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