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

ABSTRACT: In the title compound, C(15)H(10)BrClO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 86.85?(6)° with the mean plane [mean deviation = 0.009?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by slipped ?-? inter-actions between the benzene and the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.884?(2), inter-planar distance = 3.369?(2) and slippage = 1.945?(2)?Å], and between the 4-bromo-phenyl rings of adjacent mol-ecules [centroid-centroid distance = 3.882?(2), inter-planar distance = 3.552?(2) and slippage = 1.566?(2)?Å]. A Br?Br [3.6446?(4)?Å] halogen inter-action is also observed.

PROVIDER: S-EPMC3393896 | BioStudies | 2012-01-01T00:00:00Z

REPOSITORIES: biostudies

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1-(4-Bromo-phenyl-sulfon-yl)-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(13)BrO(3)S, the 4-bromo-phenyl ring makes a dihedral angle of 64.11?(2)° with the mean plane [r.m.s. deviation = 0.01?(2)?Å] of the naphtho-furan ring. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions. The crystal structure also exhibits slipped ?-? inter-actions between the central naphtho-furan benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.559?(2), slippage = 1.036?(2)?Å], and between the central naphtho-furan benzene ring and the furan ring of neighbouring mol-ecules [centroid-centroid distance = 3.655?(2), slippage = 1.136?(2)?Å].

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3-(4-Bromo-phenyl-sulfin-yl)-2,5-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(13)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 87.87?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by a weak ?-? inter-action between the 4-bromo-phenyl rings [centroid-to-centroid distance = 3.907?(3)?Å, inter-planar distance = 3.528?(3)?Å and slippage = 1.679?(3)?Å].

2012-01-01 | S-EPMC3297310 | BioStudies

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

Project description:There are two symmetry-independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(15)H(10)BrFO(2)S. The dihedral angle formed by the 4-bromo-phenyl ring and the mean plane of the benzofuran fragment is 88.26?(6)° in mol-ecule A and 88.25?(6)° in mol-ecule B. In the crystal, mol-ecules are linked by weak inter-molecular C-H?F, C-H?O and C-H?? inter-actions. The crystal structure also exhibits inter-molecular C-Br?? [3.737?(3)?Å] inter-actions, and weak ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.557?(3)?Å, inter-planar distance = 3.421?(3)?Å and slippage = 0.974?(3)?Å].

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1-(4-Bromo-phenyl-sulfin-yl)-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(13)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 83.75?(4)° with the mean plane of the naphtho-furan fragment [r.m.s. deviation = 0.024?(2)?Å]. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers. These dimers are connected by weak ?-? inter-actions between the central naphtho-furan benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.483?(2)?Å, inter-planar distance = 3.416?(2)?Å and slippage = 0.680?(2)?Å].

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2-(5-Bromo-3-isopropyl-sulfanyl-1-benzofuran-2-yl)acetic acid.

Project description:The title compound, C(13)H(13)BrO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-3-isopropyl-sulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxyl groups are involved in inter-molecular O-H?O hydrogen bonds, which link the mol-ecules into dimers. These dimers are further packed into stacks along the c axis by inter-molecular C-H?? inter-actions, and by slipped ?-? inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.472?(2)?Å, inter-planar distance = 3.398?(2)?Å and slippage = 0.713?(2)?Å].

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Project description:In the title compound, C21H21BrO2S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.178?(2)?Å] of the benzo-furan ring system and the mean plane of the 3-bromo-phenyl ring is 86.52?(6)°. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? hydrogen bonds, and by a slipped ?-? inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.518?(3)?Å, inter-planar distance = 3.471?(3)?Å and slippage = 0.573?(3)?Å], resulting in a three-dimensional network.

2014-01-01 | S-EPMC3998404 | BioStudies

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

Project description:In the title compound, C(21)H(21)BrO(2)S, the cyclohexyl ring adopts a chair conformation. The 4-bromo-phenyl ring makes a dihedral angle of 81.62?(6)° with the mean plane 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 a slipped ?-? inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distances = 3.540?(3)?Å, inter-planar distance = 3.481?(3)?Å and slippage = 0.644?(3)?Å].

| S-EPMC3254539 | BioStudies

1-Phenyl-isatin.

Project description:In the title compound, C(14)H(9)NO(2), the phenyl ring makes a dihedral angle of 50.59?(5)° with the mean plane of the isatin fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits two slipped ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.968?(3)?Å, inter-planar distance = 3.484?(3)?Å and slippage = 1.899?(3)?Å], and between the phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.968?(3)?Å, inter-planar distance = 3.638?(3)?Å and slippage = 1.584?(3)?Å].

2011-01-01 | S-EPMC3213483 | BioStudies

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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Project description:In the title compound, C(14)H(15)ClO(2)S, the cyclo-pentyl ring adopts an envelope conformation. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.784?(3)?Å, inter-planar distance = 3.199?(3)?Å and slippage = 2.021?(3)?Å].

| S-EPMC3151758 | BioStudies

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