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Crystal structure of 3-(4-bromo-phenyl-sulfon-yl)-2,5,6-trimethyl-1-benzo-furan.

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

Bottom Line: In the title compound, C17H15BrO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-bromo-phenyl ring is 89.29 (6)°.In the crystal, mol-ecules are linked into a chain along the b-axis direction by C-H⋯π hydrogen bonds and C-Br⋯π [3.626 (1) Å] inter-actions.

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

ABSTRACT
In the title compound, C17H15BrO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-bromo-phenyl ring is 89.29 (6)°. In the crystal, mol-ecules are linked into a chain along the b-axis direction by C-H⋯π hydrogen bonds and C-Br⋯π [3.626 (1) Å] inter-actions.

No MeSH data available.


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A view of the C—H⋯π and C—Br⋯π inter­actions (dotted lines) in the crystal structure of the title compound. H atoms not participating in hydrogen bonding have been omitted for clarity. [Symmetry codes: (i) x, −y + 1, z + ; (ii) x + 1, y, z; (iii) x, −y + 1, z − ; (iv) x − 1, y, z.]
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fig2: A view of the C—H⋯π and C—Br⋯π inter­actions (dotted lines) in the crystal structure of the title compound. H atoms not participating in hydrogen bonding have been omitted for clarity. [Symmetry codes: (i) x, −y + 1, z + ; (ii) x + 1, y, z; (iii) x, −y + 1, z − ; (iv) x − 1, y, z.]

Mentions: In the crystal, mol­ecules are linked into a chain along the b-axis direction by C—H⋯π hydrogen bonds (Fig. 2 ▶ and Table 1 ▶), and by C15—Br1⋯π inter­actions between the Br atom and the benzene ring of a neighbouring mol­ecule with a Br1⋯Cg1ii separation of 3.626 (1) Å [illustrated in Fig. 2 ▶; Cg1 is the centroid of the C2–C7 benzene ring; symmetry code: (ii) x + 1, y, z].


Crystal structure of 3-(4-bromo-phenyl-sulfon-yl)-2,5,6-trimethyl-1-benzo-furan.

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

A view of the C—H⋯π and C—Br⋯π inter­actions (dotted lines) in the crystal structure of the title compound. H atoms not participating in hydrogen bonding have been omitted for clarity. [Symmetry codes: (i) x, −y + 1, z + ; (ii) x + 1, y, z; (iii) x, −y + 1, z − ; (iv) x − 1, y, z.]
© Copyright Policy - open-access
Related In: Results  -  Collection

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fig2: A view of the C—H⋯π and C—Br⋯π inter­actions (dotted lines) in the crystal structure of the title compound. H atoms not participating in hydrogen bonding have been omitted for clarity. [Symmetry codes: (i) x, −y + 1, z + ; (ii) x + 1, y, z; (iii) x, −y + 1, z − ; (iv) x − 1, y, z.]
Mentions: In the crystal, mol­ecules are linked into a chain along the b-axis direction by C—H⋯π hydrogen bonds (Fig. 2 ▶ and Table 1 ▶), and by C15—Br1⋯π inter­actions between the Br atom and the benzene ring of a neighbouring mol­ecule with a Br1⋯Cg1ii separation of 3.626 (1) Å [illustrated in Fig. 2 ▶; Cg1 is the centroid of the C2–C7 benzene ring; symmetry code: (ii) x + 1, y, z].

Bottom Line: In the title compound, C17H15BrO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-bromo-phenyl ring is 89.29 (6)°.In the crystal, mol-ecules are linked into a chain along the b-axis direction by C-H⋯π hydrogen bonds and C-Br⋯π [3.626 (1) Å] inter-actions.

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, C17H15BrO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-bromo-phenyl ring is 89.29 (6)°. In the crystal, mol-ecules are linked into a chain along the b-axis direction by C-H⋯π hydrogen bonds and C-Br⋯π [3.626 (1) Å] inter-actions.

No MeSH data available.


Related in: MedlinePlus