2001Chinese Journal of Structural ChemistryRequires access

Crystal Structure of 3-Methyl-4-methoxy-3-(3-methyl-4- methoxy-2-benzofuranyl) -2-H-benzofuranyl

Chen Xiao

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Abstract

The crystal structure of the title compound (C 20 H 20 O 4, M r =324.36) has been determined by single crystal X ray diffraction. The crystal is monoclinic with space group P2 1/c, a=9.506(1), b=14.499(9), c=12.077(1) , β=93.55(3)°, V=1661.3(3)  3, Z=4, D c =1.297g/cm 3, λ=0.71073 , μ (Mo Kα )=0\^090mm -1 , F (000)=688. The structrue was refined to R=0.0516, wR(F 2 )=0\^1266 for 2947 reflections with I 2σ(I). X ray diffraction analysis reveals that the title compound is a pseudo\|dimer of benzofuran and there is a chiral carbon atom which causes the two neighbor hydrogen atoms magnetically nonequivalent.

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What this paper is about

The crystal structure of the title compound (C 20 H 20 O 4, M r =324.36) has been determined by single crystal X ray diffraction. The crystal is monoclinic with space group P2 1/c, a=9.506(1), b=14.499(9), c=12.077(1) , β=93.55(3)°, V=1661.3(3)  3, Z=4, D c =1.297g/cm 3, λ=0.71073 , μ (Mo Kα )=0\^090mm -1 , F (000)=688. The structrue was refined to R=0.0516, wR(F 2 )=0\^1266 for 2947 reflections with I 2σ(I). X ray diffraction analysis reveals that the title compound is a pseudo\|dimer of benzofuran and there is a chiral carbon atom which causes the two neighbor hydrogen atoms magnetically nonequivalent.

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Available abstract

The crystal structure of the title compound (C 20 H 20 O 4, M r =324.36) has been determined by single crystal X ray diffraction. The crystal is monoclinic with space group P2 1/c, a=9.506(1), b=14.499(9), c=12.077(1) , β=93.55(3)°, V=1661.3(3)  3, Z=4, D c =1.297g/cm 3, λ=0.71073 , μ (Mo Kα )=0\^090mm -1 , F (000)=688. The structrue was refined to R=0.0516, wR(F 2 )=0\^1266 for 2947 reflections with I 2σ(I). X ray diffraction analysis reveals that the title compound is a pseudo\|dimer of benzofuran and there is a chiral carbon atom which causes the two neighbor hydrogen atoms magnetically nonequivalent.

Key concepts: Monoclinic crystal system, Chemistry, Crystal structure, Dimer, Crystallography, Benzofuran, Crystal (programming language), Stereochemistry

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