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5-(4-Bromo-phen-yl)-2-(3,4-methyl-ene-dioxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran.

Choi HD, Seo PJ, Son BW, Lee U - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: The dihedral angles between the 3,4-methyl-ene-dioxy-phenyl ring and the benzofuran plane are 13.5 (2), 7.1 (2), 18.6 (3) and 14.2 (3)° in the four mol-ecules.The crystal structure is stabilized by weak nonclassical inter-molecular C-H⋯O hydrogen bonds.The crystal structure also exhibits inter-molecular aromatic π-π inter-actions between the benzene and furan rings and between the 4-bromo-phenyl and 3,4-methyl-enedioxy-phenyl rings from mol-ecules of the same type; the centroid-centroid distances are 3.92 (1) and 3.79 (1), 3.91 (1), 3.77 (1) and 3.77 (1), and 3.79 (1) and 3.75 (1)Å in the four mol-ecules.

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ABSTRACT
The title compound, C(22)H(15)BrO(3)S, crystallizes with four mol-ecules in the asymmetric unit. The 4-bromo-phenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four mol-ecules of 20.8 (2), 17.8 (2), 23.5 (4) and 23.9 (4)°. The dihedral angles between the 3,4-methyl-ene-dioxy-phenyl ring and the benzofuran plane are 13.5 (2), 7.1 (2), 18.6 (3) and 14.2 (3)° in the four mol-ecules. The crystal structure is stabilized by weak nonclassical inter-molecular C-H⋯O hydrogen bonds. The crystal structure also exhibits inter-molecular aromatic π-π inter-actions between the benzene and furan rings and between the 4-bromo-phenyl and 3,4-methyl-enedioxy-phenyl rings from mol-ecules of the same type; the centroid-centroid distances are 3.92 (1) and 3.79 (1), 3.91 (1), 3.77 (1) and 3.77 (1), and 3.79 (1) and 3.75 (1)Å in the four mol-ecules.

No MeSH data available.


π–π interaction (dotted lines) of molecule C and D in the title compound. Cg denotes the ring centroids. [Symmetry codes: (vii) - x, - y + 2, - z + 1; (viii) - x + 1, - y, - z + 2.]
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Fap4: π–π interaction (dotted lines) of molecule C and D in the title compound. Cg denotes the ring centroids. [Symmetry codes: (vii) - x, - y + 2, - z + 1; (viii) - x + 1, - y, - z + 2.]


5-(4-Bromo-phen-yl)-2-(3,4-methyl-ene-dioxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran.

Choi HD, Seo PJ, Son BW, Lee U - Acta Crystallogr Sect E Struct Rep Online (2009)

π–π interaction (dotted lines) of molecule C and D in the title compound. Cg denotes the ring centroids. [Symmetry codes: (vii) - x, - y + 2, - z + 1; (viii) - x + 1, - y, - z + 2.]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2970320&req=5

Fap4: π–π interaction (dotted lines) of molecule C and D in the title compound. Cg denotes the ring centroids. [Symmetry codes: (vii) - x, - y + 2, - z + 1; (viii) - x + 1, - y, - z + 2.]
Bottom Line: The dihedral angles between the 3,4-methyl-ene-dioxy-phenyl ring and the benzofuran plane are 13.5 (2), 7.1 (2), 18.6 (3) and 14.2 (3)° in the four mol-ecules.The crystal structure is stabilized by weak nonclassical inter-molecular C-H⋯O hydrogen bonds.The crystal structure also exhibits inter-molecular aromatic π-π inter-actions between the benzene and furan rings and between the 4-bromo-phenyl and 3,4-methyl-enedioxy-phenyl rings from mol-ecules of the same type; the centroid-centroid distances are 3.92 (1) and 3.79 (1), 3.91 (1), 3.77 (1) and 3.77 (1), and 3.79 (1) and 3.75 (1)Å in the four mol-ecules.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(22)H(15)BrO(3)S, crystallizes with four mol-ecules in the asymmetric unit. The 4-bromo-phenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four mol-ecules of 20.8 (2), 17.8 (2), 23.5 (4) and 23.9 (4)°. The dihedral angles between the 3,4-methyl-ene-dioxy-phenyl ring and the benzofuran plane are 13.5 (2), 7.1 (2), 18.6 (3) and 14.2 (3)° in the four mol-ecules. The crystal structure is stabilized by weak nonclassical inter-molecular C-H⋯O hydrogen bonds. The crystal structure also exhibits inter-molecular aromatic π-π inter-actions between the benzene and furan rings and between the 4-bromo-phenyl and 3,4-methyl-enedioxy-phenyl rings from mol-ecules of the same type; the centroid-centroid distances are 3.92 (1) and 3.79 (1), 3.91 (1), 3.77 (1) and 3.77 (1), and 3.79 (1) and 3.75 (1)Å in the four mol-ecules.

No MeSH data available.