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

ABSTRACT: In the title compound, C16H13IO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.015?(2)?Å] and the 4-methyl-phenyl ring is 70.35?(5)°. In the crystal, mol-ecules are linked by pairs of ?-? inter-actions between the furan and benzene rings, with centroid-centroid distances of 3.667?(3) and 3.701?(3)?Å. The mol-ecules stack along the a-axis direction. In addition, pairs of C-H?O hydrogen bonds between inversion-related dimers [which generate R 2 (2)(10) loops] and a short I?I [3.7534?(3)?Å] contact are observed.

SUBMITTER: Choi HD

PROVIDER: S-EPMC4186123 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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

Choi Hong Dae HD Lee Uk U

Acta crystallographica. Section E, Structure reports online 20140820 Pt 9

In the title compound, C16H13IO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-methyl-phenyl ring is 70.35 (5)°. In the crystal, mol-ecules are linked by pairs of π-π inter-actions between the furan and benzene rings, with centroid-centroid distances of 3.667 (3) and 3.701 (3) Å. The mol-ecules stack along the a-axis direction. In addition, pairs of C-H⋯O hydrogen bonds between inversion-related dimers [which generate R 2 (2)(10 ...[more]

PMID: 25309207

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