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5-Bromo-3-ethyl-sulfinyl-2-(4-methyl-phen-yl)-1-benzo-furan.

Choi HD, Seo PJ, Lee U - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title compound, C17H15BrO2S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.004 (3) Å] and that of the 4-methyl-phenyl ring is 0.9 (2)°.In the crystal, mol-ecules are linked by C-H⋯O, C-H⋯π and Br⋯π [3.636 (2) Å] inter-actions, and by π-π inter-actions between the 4-methyl-phenyl and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.650 (2) Å], forming a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Dongeui University, San 24 Kaya-dong, Busanjin-gu, Busan 614-714, Republic of Korea.

ABSTRACT
In the title compound, C17H15BrO2S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.004 (3) Å] and that of the 4-methyl-phenyl ring is 0.9 (2)°. In the crystal, mol-ecules are linked by C-H⋯O, C-H⋯π and Br⋯π [3.636 (2) Å] inter-actions, and by π-π inter-actions between the 4-methyl-phenyl and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.650 (2) Å], forming a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus

A view of the C—H···O, C—H···π, Br···π and π···π interactions (dotted lines) in the crystal structure of the title compound. H atoms non-participating in hydrogen-bonding were omitted for clarity. [Symmetry codes: (i) x + 3/2, - y + 1/2, z + 1/2; (ii) x + 1, y, z; (iii) x - 1, y, z; (iv) x - 3/2, - y + 1/2, z - 1/2.]
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Fap2: A view of the C—H···O, C—H···π, Br···π and π···π interactions (dotted lines) in the crystal structure of the title compound. H atoms non-participating in hydrogen-bonding were omitted for clarity. [Symmetry codes: (i) x + 3/2, - y + 1/2, z + 1/2; (ii) x + 1, y, z; (iii) x - 1, y, z; (iv) x - 3/2, - y + 1/2, z - 1/2.]


5-Bromo-3-ethyl-sulfinyl-2-(4-methyl-phen-yl)-1-benzo-furan.

Choi HD, Seo PJ, Lee U - Acta Crystallogr Sect E Struct Rep Online (2014)

A view of the C—H···O, C—H···π, Br···π and π···π interactions (dotted lines) in the crystal structure of the title compound. H atoms non-participating in hydrogen-bonding were omitted for clarity. [Symmetry codes: (i) x + 3/2, - y + 1/2, z + 1/2; (ii) x + 1, y, z; (iii) x - 1, y, z; (iv) x - 3/2, - y + 1/2, z - 1/2.]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4120618&req=5

Fap2: A view of the C—H···O, C—H···π, Br···π and π···π interactions (dotted lines) in the crystal structure of the title compound. H atoms non-participating in hydrogen-bonding were omitted for clarity. [Symmetry codes: (i) x + 3/2, - y + 1/2, z + 1/2; (ii) x + 1, y, z; (iii) x - 1, y, z; (iv) x - 3/2, - y + 1/2, z - 1/2.]
Bottom Line: In the title compound, C17H15BrO2S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.004 (3) Å] and that of the 4-methyl-phenyl ring is 0.9 (2)°.In the crystal, mol-ecules are linked by C-H⋯O, C-H⋯π and Br⋯π [3.636 (2) Å] inter-actions, and by π-π inter-actions between the 4-methyl-phenyl and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.650 (2) Å], forming a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Dongeui University, San 24 Kaya-dong, Busanjin-gu, Busan 614-714, Republic of Korea.

ABSTRACT
In the title compound, C17H15BrO2S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.004 (3) Å] and that of the 4-methyl-phenyl ring is 0.9 (2)°. In the crystal, mol-ecules are linked by C-H⋯O, C-H⋯π and Br⋯π [3.636 (2) Å] inter-actions, and by π-π inter-actions between the 4-methyl-phenyl and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.650 (2) Å], forming a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus