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Crystal structure of 5-chloro-2,4,6-trimethyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzo-furan.

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

Bottom Line: In the title compound, C18H17ClO2S, the dihedral angle between the planes of the benzo-furan ring [r.m.s. deviation = 0.013 (1) Å] and the 4-methyl-phenyl ring is 87.37 (5)°.In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.525 (2) Å].In addition, an S⋯S [3.6584 (9) Å] contact is observed.

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, C18H17ClO2S, the dihedral angle between the planes of the benzo-furan ring [r.m.s. deviation = 0.013 (1) Å] and the 4-methyl-phenyl ring is 87.37 (5)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.525 (2) Å]. In addition, an S⋯S [3.6584 (9) Å] contact is observed.

No MeSH data available.


Related in: MedlinePlus

A view of the C—H···O, π–π and S···S 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 + 1, y, z; (ii) - x + 1, - y + 2, - z + 1; (iii) - x + 1, - y + 1, - z + 1; (iv) - x, - y + 2, - z + 1; (v) x - 1, y, z; (vi) x, y - 1, z.]
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Fap2: A view of the C—H···O, π–π and S···S 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 + 1, y, z; (ii) - x + 1, - y + 2, - z + 1; (iii) - x + 1, - y + 1, - z + 1; (iv) - x, - y + 2, - z + 1; (v) x - 1, y, z; (vi) x, y - 1, z.]


Crystal structure of 5-chloro-2,4,6-trimethyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzo-furan.

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

A view of the C—H···O, π–π and S···S 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 + 1, y, z; (ii) - x + 1, - y + 2, - z + 1; (iii) - x + 1, - y + 1, - z + 1; (iv) - x, - y + 2, - z + 1; (v) x - 1, y, z; (vi) x, y - 1, z.]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257403&req=5

Fap2: A view of the C—H···O, π–π and S···S 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 + 1, y, z; (ii) - x + 1, - y + 2, - z + 1; (iii) - x + 1, - y + 1, - z + 1; (iv) - x, - y + 2, - z + 1; (v) x - 1, y, z; (vi) x, y - 1, z.]
Bottom Line: In the title compound, C18H17ClO2S, the dihedral angle between the planes of the benzo-furan ring [r.m.s. deviation = 0.013 (1) Å] and the 4-methyl-phenyl ring is 87.37 (5)°.In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.525 (2) Å].In addition, an S⋯S [3.6584 (9) Å] contact is observed.

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, C18H17ClO2S, the dihedral angle between the planes of the benzo-furan ring [r.m.s. deviation = 0.013 (1) Å] and the 4-methyl-phenyl ring is 87.37 (5)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.525 (2) Å]. In addition, an S⋯S [3.6584 (9) Å] contact is observed.

No MeSH data available.


Related in: MedlinePlus