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Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methyl-phenyl)-sulfon-yl]-1-benzo-furan.

ABSTRACT: In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.008?Å] and the 4-methyl-phenyl ring is 77.29?(4)°. In the crystal, mol-ecules are linked by ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.847?(2)?Å] and between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.743?(2)?Å]. The mol-ecules are stacked along the a-axis direction. In addition, pairs of C-H?O hydrogen bonds are observed between inversion-related dimers: these generate R 2 (2)(12) loops.

SUBMITTER: Choi HD

PROVIDER: S-EPMC4186162 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methyl-phenyl)-sulfon-yl]-1-benzo-furan.

Choi Hong Dae HD Lee Uk U

Acta crystallographica. Section E, Structure reports online 20140816 Pt 9

In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.008 Å] and the 4-methyl-phenyl ring is 77.29 (4)°. In the crystal, mol-ecules are linked by π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.847 (2) Å] and between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.743 (2) Å]. The mol-ecules are stacked along the a-axis direction. I ...[more]

PMID: 25309201

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