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5-Bromo-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(13)BrO(3)S, the 4-methyl-phenyl group makes a dihedral angle of 70.1 (1)° with the mean plane [average deviation = 0.012 (2) Å] of the benzofuran unit. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds. There are also π-π inter-actions between the furan and benzene rings of adjacent benzofuran systems [centroid-centroid distances = 3.621 (2) and 3.665 (2) Å], along with halogen-halogen inter-actions [Br⋯Br separation = 3.674 (1) Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3393953 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5-Bromo-3-(4-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)BrFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 76.51?(6)° with the plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak non-classical inter-molecular C-H?O hydrogen bonds and an aromatic ?-? inter-action between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.540?(3)?Å].

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3-(4-Bromo-phenyl-sulfon-yl)-5-ethyl-2-methyl-1-benzofuran.

Project description:In the title compound, C17H15BrO3S, the 4-bromo-phenyl ring makes a dihedral angle of 76.58 (9)° with the mean plane [r.m.s. deviation = 0.006 (2) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions.

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3-(4-Bromo-phenyl-sulfon-yl)-5-chloro-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)BrClO(3)S, the 4-bromo-substituted benzene ring forms a dihedral angle of 72.55 (6)° with the mean plane [mean deviation = 0.008 (2) Å] of the benzofuran ring system. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into chains along [001]. There are also π-π inter-actions between the furan and benzene rings of symmetry-related benzofuran systems [centroid-centroid distances = 3.549 (3) and 3.632 (3) Å].

| S-EPMC3393296 | biostudies-literature

3-(4-Bromo-phenyl-sulfon-yl)-5-cyclo-pentyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(20)H(19)BrO(3)S, the cyclo-pentyl ring adopts an envelope conformation. The 4-bromo-phenyl ring makes a dihedral angle of 82.09?(6)° with the mean plane [mean deviation = 0.026?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and Br?O contacts [3.309?(2)?Å].

| S-EPMC3379229 | biostudies-literature

3-(4-Bromo-phenyl-sulfon-yl)-5-cyclo-hexyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(21)H(21)BrO(3)S, the cyclo-hexyl ring adopts a chair conformation. The 4-bromo-phenyl ring makes a dihedral angle of 80.88?(6)° with the mean plane of the benzofuran fragment. An intra-molecular C-H?O hydrogen bond is formed between an O atom of the sulfonyl group and one H atom of the aromatic ring such that a five-membered ring is formed. The crystal packing is stabilized by an inter-molecular C-H?O hydrogen bond, which links the mol-ecules into chains with graph-set notation C(6) running parallel to the c axis, and ?-? stacking inter-actions [centroid-centroid distance = 3.6129?(12)?Å].

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2,5,7-Trimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

Project description:In the title compound, C(18)H(18)O(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 86.35?(3)° with the mean plane [mean deviation = 0.006?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions. The crystal structure also exhibits weak ?-? inter-actions between the furan and benzene rings of neighbouring benzofuran systems [centroid-centroid distance = 3.685?(2), inter-planar distance = 3.572?(2) and slippage = 0.906?(2)?Å].

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5-Fluoro-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

Project description:In the title compound, C(16)H(13)FO(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 76.04?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by a slipped ?-? inter-action between the furan and benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.780?(2)?Å, inter-planar distance = 3.475?(2)?Å and slippage = 1.488?(2)?Å].

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5-Bromo-3-(4-fluoro-phenyl-sulfon-yl)-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(12)BrFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.35?(5)° with the mean plane [r.m.s. deviation = 0.008?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked into [010] chains via two different inversion-generated pairs of C-H?O hydrogen bonds. The crystal structure also exhibits slipped ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.667?(2)?Å and slippage = 1.341?(2)?Å], and between the benzene and the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.759?(2)?Å and slippage = 0.757?(2)?Å].

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5-Cyclo-hexyl-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

Project description:In the title compound, C(22)H(24)O(3)S, the cyclo-hexyl ring adopts a chair conformation. The 4-methyl-phenyl ring makes a dihedral angle of 80.95?(4)° with the mean plane [mean deviation = 0.011?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions.

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N-(4-Bromo-phenyl-sulfon-yl)-2,2,2-tri-methyl-acetamide.

Project description:The conformations of the N-H and C=O bonds in the SO(2)-NH-CO-C group of the title compound (N4BPSTMAA), C(11)H(14)BrNO(3)S, are trans to each other, similar to what is observed in N-(4-chloro-phenyl-sulfon-yl)-2,2,2-trimethyl-acet-amide (N4CPSTMAA) and 2,2,2-trimethyl-N-(4-methyl-phenyl--sulfon-yl)acetamide (N4MPSTMAA). The bond para-meters in N4BPSTMAA are similar to those in N4CPSTMAA, N4MPSTMAA, N-aryl-2,2,2-trimethyl-acet-amides and 4-bromo-benzene-sulfonamide. The benzene ring and the SO(2)-NH-CO-C group in N4BPSTMAA form a dihedral angle of 82.8 (1)°, comparable with the values of 82.2 (1)° in N4CPSTMAA and 71.2 (1)° in N4MPSTMAA. N-H⋯O hydrogen bonds form a centrosymmetric ring characterized by an R(2) (2)(8) motif.

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