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1.  2-(4-Fluoro­phen­yl)-5,6-methyl­enedi­oxy-3-phenyl­sulfinyl-1-benzofuran monohydrate 
In the title compound, C21H13FO4S·H2O, the dihedral angles between the mean plane of the benzofuran fragment (r.m.s. deviation = 0.005 Å) and the pendant 4-fluoro­phenyl and phenyl rings are 6.24 (7) and 83.39 (6)°, respectively. In the crystal, mol­ecules are linked by O—H⋯O and C—H⋯O hydrogen bonds.
doi:10.1107/S160053681105553X
PMCID: PMC3275053  PMID: 22346998
2.  2-(5-Bromo-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetic acid 
The title compound, C13H13BrO3S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxyl groups are involved in inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into dimers. These dimers are further packed into stacks along the c axis by inter­molecular C—H⋯π inter­actions, and by slipped π–π inter­actions between the furan rings of adjacent mol­ecules [centroid–centroid distance = 3.472 (2) Å, inter­planar distance = 3.398 (2) Å and slippage = 0.713 (2) Å].
doi:10.1107/S1600536811052160
PMCID: PMC3254414  PMID: 22259558
3.  3-(4-Fluoro­phenyl­sulfon­yl)-5-iodo-2,7-dimethyl-1-benzofuran 
In the title compound, C16H12FIO3S, the 4-fluoro­phenyl ring makes a dihedral angle of 72.31 (6)° with the mean plane of the benzofuran fragment. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds, and by an I⋯I contact [3.7764 (3) Å]. The crystal structure also exhibits a weak C—I⋯π [3.901 (3) Å] inter­action and a slipped π–π inter­action between the furan and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.845 (3), inter­planar distance = 3.555 (3) and slippage = 1.465 (3) Å].
doi:10.1107/S1600536811052792
PMCID: PMC3254446  PMID: 22259594
4.  2-(4-Fluoro­phen­yl)-3-isopropyl­sulfinyl-5,6-methyl­enedi­oxy-1-benzofuran 
In the title compound, C18H15FO4S, the fluoro­benzene ring makes a dihedral angle of 4.3 (1)° with the mean plane of the benzofuran fragment. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds. The O atom of the sulfinyl group is disordered over two orientations, with site-occupancy factors of 0.940 (3) and 0.060 (3).
doi:10.1107/S1600536811051178
PMCID: PMC3239126  PMID: 22199974
5.  3-(3-Fluoro­phenyl­sulfon­yl)-2,5,7-trimethyl-1-benzofuran 
In the title compound, C17H15FO3S, the 3-fluoro­phenyl ring makes a dihedral angle of 73.39 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds. The crystal structure also exhibits a slipped π–π inter­action between the furan and benzene rings of neighboring mol­ecules [centroid–centroid distance = 3.743 (2) Å, inter­planar distance = 3.543 (2) Å and slippage = 1.207 (2) Å].
doi:10.1107/S1600536811048525
PMCID: PMC3239004  PMID: 22199853
6.  2-(5-Fluoro-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetic acid 
The title compound, C13H13FO3S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carb­oxy groups are involved in inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into centrosymmetric dimers. These dimers are further packed into stacks along the b axis by a slipped π–π inter­action between the furan and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.727 (2) Å, inter­planar distance = 3.465 (2) Å and slippage = 1.373 (2) Å]. The crystal structure also exhibits a short S⋯O contact [S⋯O = 3.219 (2) Å].
doi:10.1107/S1600536811044436
PMCID: PMC3247497  PMID: 22220115
7.  3-(3-Fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzofuran 
In the title compound, C17H15FO2S, the 3-fluoro­phenyl ring makes a dihedral angle of 78.38 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol­ecules are linked by weak C—H⋯O and C—H⋯π inter­actions. The crystal structure also exhibits a slipped π–π inter­action between the furan and benzene rings of neighbouring mol­ecules [centroid–centroid distances = 3.628 (2) Å, inter­planar distance = 3.417 (2) Å and slippage = 1.219 (2) Å].
doi:10.1107/S1600536811043716
PMCID: PMC3247498  PMID: 22220116
8.  2-(3-Fluoro­phen­yl)-3-methyl­sulfanyl-5-phenyl-1-benzofuran 
In the title compound, C21H15FOS, the dihedral angles between the mean plane of the benzofuran fragment and the pendant 3-fluoro­phenyl and phenyl rings are 1.76 (5) and 32.29 (5)°, respectively. In the crystal, mol­ecules are linked by a slipped π–π inter­action between the furan and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.665 (2) Å, inter­planar distance = 3.391 (2) Å and slippage = 1.390 (2) Å].
doi:10.1107/S1600536811042541
PMCID: PMC3247405  PMID: 22220023
9.  5-Chloro-3-cyclo­pentyl­sulfonyl-2-methyl-1-benzofuran 
In the title compound, C14H15ClO3S, the cyclo­penyl ring adopts an envelope conformation. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds into dual chains propagating in [100]. The dual chains arise from pairs of the same or different hydrogen bonds between adjacent molecules.
doi:10.1107/S160053681103933X
PMCID: PMC3201441  PMID: 22058829
10.  5-(4-Fluoro­phen­yl)-3-methyl­sulfanyl-2-phenyl-1-benzofuran 
In the title compound, C21H15FOS, the dihedral angle between the mean plane of the benzofuran fragment and the mean planes of the pendant 4-fluoro­benzene and phenyl rings are 31.72 (6)° and 32.51 (6)°, respectively. In the crystal, the mol­ecules are linked by weak C—H⋯π inter­actions. The crystal studied was a merohedral twin with a 0.62 (9):0.38 (9) domain ratio.
doi:10.1107/S1600536811036713
PMCID: PMC3201533  PMID: 22065057
11.  5-Cyclo­pentyl-2-(4-fluoro­phen­yl)-3-methyl­sulfinyl-1-benzofuran 
In the title compound, C20H19FO2S, the cyclo­pentyl ring adopts an envelope conformation. The 4-fluoro­phenyl ring makes a dihedral angle of 27.10 (7)° with the mean plane of the benzofuran fragment. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions. In the cyclo­pentyl ring, one C atom is disordered over two orientations with site-occupancy factors of 0.617 (7) and 0.383 (7).
doi:10.1107/S1600536811036087
PMCID: PMC3201219  PMID: 22065539
12.  3-(3-Chloro­phenyl­sulfon­yl)-2,5-dimethyl-1-benzofuran 
In the title molecule, C16H13ClO3S, the 3-chloro­phenyl ring makes a dihedral angle of 76.30 (5)° with the mean plane of the benzofuran fragment. In the crystal, pairs of inter­molecular C—H⋯π inter­actions link the mol­ecules into inversion dimers.
doi:10.1107/S1600536811035720
PMCID: PMC3201520  PMID: 22065828
13.  2-(4-Fluoro­phen­yl)-1-(phenyl­sulfin­yl)­naphtho­[2,1-b]furan 
In the title compound, C24H15FO2S, the 4-fluoro­phenyl ring makes a dihedral angle of 19.43 (4)° with the mean plane of the naphtho­furan fragment. The dihedral angle between the phenyl ring and the mean plane of the naphtho­furan fragment is 85.83 (4)°. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536811034155
PMCID: PMC3200676  PMID: 22059034
14.  5-Bromo-2-(4-fluoro­phen­yl)-3-phenyl­sulfinyl-1-benzofuran 
In the title compound, C20H12BrFO2S, the 4-fluoro­phenyl ring makes a dihedral angle of 2.63 (6)° with the mean plane of the benzofuran fragment. The dihedral angle between the phenyl ring and the mean plane of the benzofuran fragment is 84.60 (6)°. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds, and slipped π–π inter­actions between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.719 (3) Å, inter­planar distance = 3.000 (3) Å and slippage = 1.520 (3) Å].
doi:10.1107/S1600536811032387
PMCID: PMC3200819  PMID: 22064889
15.  3-(3-Fluoro­phenyl­sulfin­yl)-2,4,5,6-tetra­methyl-1-benzofuran 
In the title compound, C18H17FO2S, the 3-fluoro­phenyl ring makes a dihedral angle of 78.60 (5)° with the mean plane of the benzofuran fragment. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds and weak inter­molecular C—S⋯π [3.490 (2) Å] inter­actions.
doi:10.1107/S1600536811032077
PMCID: PMC3200861  PMID: 22058952
16.  3-Cyclo­hexyl­sulfonyl-2-methyl-5-propyl-1-benzofuran 
In the title compound, C18H24O3S, the cyclo­hexyl ring adopts a chair conformation. In the crystal, mol­ecules are linked through weak inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions. In the propyl group, one C atom is disordered over two sites with site-occupancy factors of 0.546 (8) and 0.454 (8).
doi:10.1107/S1600536811031023
PMCID: PMC3200801  PMID: 22058920
17.  5-(4-Fluoro­phen­yl)-2-methyl-3-methyl­sulfinyl-1-benzofuran 
In the title compound, C16H13FO2S, the 4-fluoro­phenyl ring makes a dihedral angle of 38.75 (8)° with the mean plane of the benzofuran fragment. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S160053681103056X
PMCID: PMC3200607  PMID: 22065410
18.  5-Cyclo­pentyl-2-methyl-3-phenyl­sulfonyl-1-benzofuran 
In the title compound, C20H20O3S, the cyclo­pentyl ring adopts an envelope conformation. The phenyl ring makes a dihedral angle of 81.40 (6)° with the mean plane of the benzofuran fragment. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions.
doi:10.1107/S160053681103042X
PMCID: PMC3200710  PMID: 22065504
19.  3-Cyclo­hexyl­sulfonyl-5-iodo-2,7-dimethyl-1-benzofuran 
In the title compound, C16H19IO3S, the cyclo­hexyl ring adopts a chair conformation. In the crystal, pairs of inter­molecular I⋯O contacts [3.269 (2) Å] link the mol­ecules into inversion dimers. These dimers are further stabilized by a slipped π–π inter­action between the benzene and furan rings of adjacent mol­ecules [centroid–centroid distance = 3.701 (3) Å, inter­planar distance = 3.372 (3) Å and slippage = 1.525 (3) Å].
doi:10.1107/S1600536811027395
PMCID: PMC3213500  PMID: 22091079
20.  2-(5-Cyclo­hexyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid 
In the title compound, C17H20O3S, the cyclo­hexyl ring adopts a chair conformation. In the crystal, the carboxyl groups are involved in inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into centrosymmetric dimers. These dimers are further stabilized by weak inter­molecular C—H⋯O hydrogen bonds. In addition, the crystal structure also exhibits aromatic π–π inter­actions between the furan rings of adjacent mol­ecules [centroid–centroid distance = 3.505 (2) Å, inter­planar distance = 3.385 (2) Å and slippage = 0.909 (2) Å], and inter­molecular C—H⋯π inter­actions.
doi:10.1107/S1600536811026298
PMCID: PMC3212340  PMID: 22090997
21.  2-(5-Fluoro-7-methyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid 
The title compound, C12H11FO3S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-7-methyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxyl groups are involved in inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into centrosymmetric dimers.
doi:10.1107/S1600536811026729
PMCID: PMC3213436  PMID: 22091015
22.  Ethyl 2-(5-cyclo­hexyl-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate 
In the title compound, C19H24O4S, the cyclo­hexyl ring adopts a chair conformation. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds. The O atom of the sulfinyl group is disordered over two orientations with site-occupancy factors of 0.875 (4) and 0.125 (4).
doi:10.1107/S1600536811024925
PMCID: PMC3212267  PMID: 22090924
23.  3-Cyclo­pentyl­sulfonyl-5-fluoro-2-methyl-1-benzofuran 
There are two independent mol­ecules, A and B, in the asymmetric unit of the title compound, C14H15FO3S, in each of which the cyclo­pentyl ring adopts an envelope conformation. The benzofuran units in each mol­ecule are essentially planar, with mean deviations from the least-squares plane defined by the nine constituent ring atoms of 0.009 (2) Å for mol­ecule A and 0.013 (2) Å for mol­ecule B. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds. In the cyclo­pentyl ring of mol­ecule B, one C atom is disordered over two positions with site-occupancy factors of 0.60 (2) and 0.40 (2).
doi:10.1107/S1600536811021222
PMCID: PMC3152135  PMID: 21837086
24.  5-Chloro-3-cyclo­pentyl­sulfinyl-2-methyl-1-benzofuran 
In the title compound, C14H15ClO2S, the cyclo­pentyl ring adopts an envelope conformation. In the crystal, mol­ecules are linked through weak inter­molecular C—H⋯O hydrogen bonds. The crystal structure also exhibits a slipped π–π inter­action between the furan and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.784 (3) Å, inter­planar distance = 3.199 (3) Å and slippage = 2.021 (3) Å].
doi:10.1107/S1600536811019775
PMCID: PMC3151758  PMID: 21836971
25.  5-Cyclo­hexyl-2-methyl-3-phenyl­sulfonyl-1-benzofuran 
In the title compound, C21H22O3S, the cyclo­hexyl ring adopts a chair conformation. The phenyl ring makes a dihedral angle of 78.07 (5)° with the mean plane of the benzofuran fragment. In the crystal, mol­ecules are linked through weak inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions.
doi:10.1107/S1600536811018903
PMCID: PMC3120485  PMID: 21754864

Results 1-25 (190)