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Crystal structure of 2,5-dimethyl-3-(2-methyl-phenyl-sulfon-yl)-1-benzo-furan.

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

Bottom Line: The title compound, C17H16O3S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit.The dihedral angle between the benzo-furan ring system [r.m.s. deviation of 0.013 (1) for A and 0.009 (1) Å for B] and the 2-methyl-phenyl ring is 83.88 (5) for A and 86.94 (5)° for B.There are also very weak π-π inter-actions present [centroid-centroid distance = 3.925 (11) Å] involvingthe 2-methyl-phenyl rings of neighbouring A and B mol-ecules.

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
The title compound, C17H16O3S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the benzo-furan ring system [r.m.s. deviation of 0.013 (1) for A and 0.009 (1) Å for B] and the 2-methyl-phenyl ring is 83.88 (5) for A and 86.94 (5)° for B. In the crystal, the B mol-ecules are linked into a chain along the b-axis direction by C-H⋯O hydrogen bonds. The A mol-ecules are connected on either side of this chain by further C-H⋯O hydrogen bonds. These chains are linked via C-H⋯π inter-actions, forming sheets parallel to (100). There are also very weak π-π inter-actions present [centroid-centroid distance = 3.925 (11) Å] involvingthe 2-methyl-phenyl rings of neighbouring A and B mol-ecules.

No MeSH data available.


Related in: MedlinePlus

A view of the C—H···O interactions (dashed lines) in the crystal structure of the title compound - see Table 1 for details. H atoms not involved in hydrogen bonding have been omitted for clarity [Symmetry codes: (i) -x, y + 1/2 , -z + 1/2; (ii) x, y + 1, z; (iii) -x, y - 1/2, -z + 1/2; (iv) x, y - 1, z].
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Fap2: A view of the C—H···O interactions (dashed lines) in the crystal structure of the title compound - see Table 1 for details. H atoms not involved in hydrogen bonding have been omitted for clarity [Symmetry codes: (i) -x, y + 1/2 , -z + 1/2; (ii) x, y + 1, z; (iii) -x, y - 1/2, -z + 1/2; (iv) x, y - 1, z].


Crystal structure of 2,5-dimethyl-3-(2-methyl-phenyl-sulfon-yl)-1-benzo-furan.

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

A view of the C—H···O interactions (dashed lines) in the crystal structure of the title compound - see Table 1 for details. H atoms not involved in hydrogen bonding have been omitted for clarity [Symmetry codes: (i) -x, y + 1/2 , -z + 1/2; (ii) x, y + 1, z; (iii) -x, y - 1/2, -z + 1/2; (iv) x, y - 1, z].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257330&req=5

Fap2: A view of the C—H···O interactions (dashed lines) in the crystal structure of the title compound - see Table 1 for details. H atoms not involved in hydrogen bonding have been omitted for clarity [Symmetry codes: (i) -x, y + 1/2 , -z + 1/2; (ii) x, y + 1, z; (iii) -x, y - 1/2, -z + 1/2; (iv) x, y - 1, z].
Bottom Line: The title compound, C17H16O3S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit.The dihedral angle between the benzo-furan ring system [r.m.s. deviation of 0.013 (1) for A and 0.009 (1) Å for B] and the 2-methyl-phenyl ring is 83.88 (5) for A and 86.94 (5)° for B.There are also very weak π-π inter-actions present [centroid-centroid distance = 3.925 (11) Å] involvingthe 2-methyl-phenyl rings of neighbouring A and B mol-ecules.

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
The title compound, C17H16O3S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the benzo-furan ring system [r.m.s. deviation of 0.013 (1) for A and 0.009 (1) Å for B] and the 2-methyl-phenyl ring is 83.88 (5) for A and 86.94 (5)° for B. In the crystal, the B mol-ecules are linked into a chain along the b-axis direction by C-H⋯O hydrogen bonds. The A mol-ecules are connected on either side of this chain by further C-H⋯O hydrogen bonds. These chains are linked via C-H⋯π inter-actions, forming sheets parallel to (100). There are also very weak π-π inter-actions present [centroid-centroid distance = 3.925 (11) Å] involvingthe 2-methyl-phenyl rings of neighbouring A and B mol-ecules.

No MeSH data available.


Related in: MedlinePlus