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

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 ?-? 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.

SUBMITTER: Choi HD

PROVIDER: S-EPMC4257403 | biostudies-other | 2014 Dec

REPOSITORIES: biostudies-other

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

Choi Hong Dae HD Lee Uk U

Acta crystallographica. Section E, Structure reports online 20141105 Pt 12

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. ...[more]

PMID: 25553017

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