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Crystal structure of 2-ethyl-3-(4-fluoro-phenyl-sulfon-yl)-5,7-dimethyl-1-benzo-furan.

ABSTRACT: In the title compound, C18H17FO3S, the dihedral angle between the plane of the benzo-furan ring [r.m.s. deviation = 0.006?(1)?Å] and that of the 4-fluoro-phenyl ring [r.m.s. deviation = 0.004?(1)?Å] is 82.45?(4)°. In the crystal, mol-ecules are linked via three different pairs of C-H?O hydrogen bonds, forming chains along [001] and enclosing two R (2) 2(10) and one R (2) 2(12) ring motifs. The chains are further linked by ?-? inter-actions [inter-centroid distance = 3.566?(1)?Å] between the furan rings of inversion-related mol-ecules, forming a two-dimensional network lying parallel to (100).

SUBMITTER: Choi HD

PROVIDER: S-EPMC4257170 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 2-ethyl-3-(4-fluoro-phenyl-sulfon-yl)-5,7-dimethyl-1-benzo-furan.

Choi Hong Dae HD Lee Uk U

Acta crystallographica. Section E, Structure reports online 20140924 Pt 10

In the title compound, C18H17FO3S, the dihedral angle between the plane of the benzo-furan ring [r.m.s. deviation = 0.006 (1) Å] and that of the 4-fluoro-phenyl ring [r.m.s. deviation = 0.004 (1) Å] is 82.45 (4)°. In the crystal, mol-ecules are linked via three different pairs of C-H⋯O hydrogen bonds, forming chains along [001] and enclosing two R (2) 2(10) and one R (2) 2(12) ring motifs. The chains are further linked by π-π inter-actions [inter-centroid distance = 3.566 (1) Å] between the fura ...[more]

PMID: 25484665

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Crystal structure of 2-ethyl-3-(4-fluoro-phenyl-sulfin-yl)-5,7-dimethyl-1-benzo-furan.

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