Synthesis and X-ray Structure of Acetoxy-4-methyl Phenyl Methyl Acetate.

Autor: Rajnikant, Lovely Sarmal, Kamni, Dinesh, M. Deshmukh
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Zdroj: Journal of Chemical Crystallography; Nov2009, Vol. 39 Issue 11, p835-837, 3p
Abstrakt: Abstract  The title compound belongs to acylal class of organic materials and it crystallizes in the monoclinic space group P21/c with unit cell parameters a = 7.643(2) Å, b = 20.546(6) Å, c = 7.783 Å, β = 112.206(2)°, V = 1131.50(5) Å3 and Z = 4. The structure has been solved by direct methods and the final R-factor is 0.0401 for 2579 unique reflections. The acetate groups are deviated significantly from the plane of phenyl ring atoms. There are two C–H···O intermolecular hydrogen bonds which gives rise to an antiparallel dimer pattern. Graphical Abstract  The title compound belongs to acylal class of organic materials and it crystallizes in the monoclinic space group P21/c with unit cell parameters a = 7.643(2) Å, b = 20.546(6) Å, c = 7.783 Å, β = 112.206(2)°, V = 1131.50(5) Å3 and Z = 4. The structure has been solved by direct methods and the final R-factor is 0.0401 for 2579 unique reflections. The acetate groups are deviated significantly from the plane of phenyl ring atoms. There are two C–H···O intermolecular hydrogen bonds which gives rise to an antiparallel dimer pattern. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index
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