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5-Bromo-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.

Choi HD, Seo PJ, Lee U - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: In the title compound, C(16)H(13)BrO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 87.83 (6)° with the mean plane [mean deviation = 0.007 (1) Å] of the benzofuran fragment.In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and Br⋯O contacts [3.099 (2) Å].The crystal structure also exhibits π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.637 (2) Å, inter-planar distance = 3.317 (2) Å and slippage = 1.492 (2) Å].

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ABSTRACT
In the title compound, C(16)H(13)BrO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 87.83 (6)° with the mean plane [mean deviation = 0.007 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and Br⋯O contacts [3.099 (2) Å]. The crystal structure also exhibits π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.637 (2) Å, inter-planar distance = 3.317 (2) Å and slippage = 1.492 (2) Å].

No MeSH data available.


The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are presented as small spheres of arbitrary radius.
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Fap1: The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are presented as small spheres of arbitrary radius.


5-Bromo-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.

Choi HD, Seo PJ, Lee U - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are presented as small spheres of arbitrary radius.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344444&req=5

Fap1: The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are presented as small spheres of arbitrary radius.
Bottom Line: In the title compound, C(16)H(13)BrO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 87.83 (6)° with the mean plane [mean deviation = 0.007 (1) Å] of the benzofuran fragment.In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and Br⋯O contacts [3.099 (2) Å].The crystal structure also exhibits π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.637 (2) Å, inter-planar distance = 3.317 (2) Å and slippage = 1.492 (2) Å].

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(16)H(13)BrO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 87.83 (6)° with the mean plane [mean deviation = 0.007 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and Br⋯O contacts [3.099 (2) Å]. The crystal structure also exhibits π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.637 (2) Å, inter-planar distance = 3.317 (2) Å and slippage = 1.492 (2) Å].

No MeSH data available.