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Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl-phen-yl)sulfin-yl]-1-benzo-furan.

ABSTRACT: In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzo-furan [r.m.s. deviation = 0.025?(2)?Å] and the 2-methyl-benzene rings is 87.87?(5)°. In the crystal, mol-ecules are linked into supra-molecular layers parallel to (0-11) by C-H?O hydrogen bonds and Br?Br [3.4521?(5)?Å] contacts. These are connected into a three-dimensional architecture via C-H?? inter-actions, which link inversion-related mol-ecules into dimers, and ?-? inter-actions between the benzene and furan rings [centroid-centroid distance = 3.573?(2)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC4571419 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl-phen-yl)sulfin-yl]-1-benzo-furan.

Choi Hong Dae HD Lee Uk U

Acta crystallographica. Section E, Crystallographic communications 20150725 Pt 8

In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzo-furan [r.m.s. deviation = 0.025 (2) Å] and the 2-methyl-benzene rings is 87.87 (5)°. In the crystal, mol-ecules are linked into supra-molecular layers parallel to (0-11) by C-H⋯O hydrogen bonds and Br⋯Br [3.4521 (5) Å] contacts. These are connected into a three-dimensional architecture via C-H⋯π inter-actions, which link inversion-related mol-ecules into dimers, and π-π inter-actions between the benzene a ...[more]

PMID: 26396819

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