organic compounds
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In the title compound, C17H15IO2S, the dihedral angle between the benzofuran group (r.m.s. deviation = 0.009 Å) and the 4-methylbenzene ring is 12.69 (5)°. In the crystal, molecules are linked via pairs of IO [IO = 3.164 (1) Å, C—IO = 166.63 (5)°] contacts into inversion-related dimers.
organic compounds
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The asymmetric unit of the title compound, C22H17FOS, contains two independent molecules (A and B). The dihedral angles between the benzofuran ring systems [r.m.s. deviations of 0.026 (1), 0.004 (1) and 0.003 (1) Å, respectively, for molecule A, and 0.002 (1), 0.004 (1) and 0.005 (1) Å for B] and the pendant 4-fluorophenyl and 4-methylphenyl rings are 39.48 (4) and 30.86 (5)°, respectively, for molecule A, and 33.34 (6) and 20.99 (8)° for B. In the crystal, molecules are linked by weak C—HF and C—Hπ interactions, resulting in a three-dimensional network.
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In the title compound, C21H21BrO2S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.178 (2) Å] of the benzofuran ring system and the mean plane of the 3-bromophenyl ring is 86.52 (6)°. In the crystal, molecules are linked by weak C—HO and C—Hπ hydrogen bonds, and by a slipped π–π interaction between the furan rings of neighbouring molecules [centroid–centroid distance = 3.518 (3) Å, interplanar distance = 3.471 (3) Å and slippage = 0.573 (3) Å], resulting in a three-dimensional network.
organic compounds
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In the title compound, C17H21BrO2S, the cyclohexyl ring adopts a chair conformation and the arylsulfinyl unit is positioned equatorially relative to the cyclohexyl group. The benzofuran unit is essentially planar, with an r.m.s. deviation of 0.016 (2) Å. In the crystal, molecules are linked by weak C—HO, C—Hπ and Brπ [3.663 (2) Å] interactions, resulting in a three-dimensional network. A BrBr [3.6838 (6) Å] contact is observed. The O atom of the sulfinyl group is disordered over two orientations with an occupancy ratio of 0.863 (5):0.137 (5).
organic compounds
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In the title compound, C16H13BrO2S, the dihedral angle between the mean plane [r.m.s. deviation = 0.012 (1) Å] of the benzofuran ring system and the 3-methylphenyl ring is 84.83 (4)°. In the crystal, molecules are linked via pairs of BrO [3.240 (1) Å] contacts, forming inversion dimers. These dimers are linked by C—Hπ interactions, forming a three-dimensional network.
organic compounds
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In the title compound, C21H21BrO3S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzofuran and 2-bromophenyl fragments is 82.47 (5)°. In the crystal, molecules related by inversion are paired into dimers via C—Hπ and π–π interactions, the latter are indicated by the short distance of 3.607 (3) Å between the centroids of the furan rings. Intermolecular C—HO hydrogen bonds and short BrO [3.280 (1) Å] contacts further consolidate the crystal packing.
organic compounds
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In the title compound, C18H17BrO2S, the dihedral angle between the methylphenyl ring and the mean plane of the benzofuran rung system is 87.0 (2)°. In the crystal, molecules related by inversion are paired into dimers via C—HO and C—Hπ interactions. These dimers are further linked by C—HO hydrogen bonds and π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.555 (5) Å], resulting in a three-dimensional supramolecular network.
organic compounds
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In the title compound, C20H16O3S, the dihedral angle between the mean planes of the naphthofuran and 3-methylphenyl fragments is 88.56 (2)°. In the crystal, molecules are linked via pairs of C—HO hydrogen bonds, forming inversion dimers. These dimers are linked by π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 3.701 (2) Å] into supramolecular chains running along the a-axis direction.
organic compounds
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In the title compound, C18H17BrO2S, the dihedral angle between the mean plane of the benzofuran ring system and the benzene ring is 68.58 (4)°. In the crystal, molecules are linked via pairs of C—HO hydrogen bonds into inversion dimers. These dimers are linked by C—HO hydrogen bonds and π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.783 (1) Å], forming a three-dimensional network. In addition, the stacked molecules exhibit inversion-related SO contacts [3.153 (1) Å] involving the sulfinyl groups.
organic compounds
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In the title compound, C18H17ClO2S, the dihedral angle between the mean planes of the benzofuran ring system and the methylphenyl ring is 14.50 (4)°. The centroid–centroid distances between the benzene and the methylphenyl rings are 3.827 (2) and 3.741 (2) Å, while the centroid–centroid distance between the furan and methylphenyl rings is 3.843 (2) Å. These distances indicate π–π interactions; on the other hand, the interplanar angles between the benzene and methylphenyl rings, and between the furan and methylphenyl rings are 13.89 (4) and 15.53 (4)°, respectively. In the crystal, the molecules stack along the a-axis direction.
organic compounds
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In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzofuran and 4-methylphenyl rings is 14.54 (5)°. In the crystal, molecules are linked via pairs of π–π interactions between the benzene and 4-methylphenyl rings, with centroid–centroid distances of 3.811 (3) and 3.755 (3) Å. A similar interaction is found between the furan and 4-methylphenyl rings, with a centroid–centroid distance of 3.866 (3) Å between neighbouring molecules. The molecules are stacked along the a-axis direction. In addition, a short BrO contact distance of 3.128 (2) Å is observed between inversion-related dimers.
organic compounds
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In the title compound, C21H21FO3S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzofuran ring system and the fluorophenyl ring is 87.61 (3)°. In the crystal, molecules related by inversion are linked into dimers via pairs of C—Hπ interactions. These dimers are further linked by π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 3.407 (2) Å and between the 2-fluorophenyl rings of neighbouring molecules [centroid–centroid distance = 3.742 (2) Å], resulting in a three-dimensional supramolecular network.
organic compounds
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In the title compound, C21H22O3S, the five-membered ring adopts an envelope conformation with the ipso atom deviating by 0.596 (2) Å from the plane through the rest of the ring atoms. The dihedral angle between the mean planes of the benzofuran and m-tolyl moieties is 78.4 (1)°. In the crystal, molecules related by a glide plane are linked via C—HO hydrogen bonds into chains along the a-axis direction. These chains are in turn connected by C—Hπ interactions into layers parallel to the ac plane.
organic compounds
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In the title compound, C16H13FO3S, the dihedral angle between the mean planes of the benzofuran ring system and the 3-methylphenyl ring is 80.96 (4)°. In the crystal, molecules are linked via pairs of π–π interactions between furan and benzene rings, with centroid–centroid distances of 3.758 (1) and 3.771 (1) Å. A similar interaction is found between furan rings, with a centroid–centroid distance of 3.661 (1) Å between neighbouring molecules. The molecules stack along the a-axis direction. In addition, C—HO and C—Hπ hydrogen bonds are observed between inversion-related dimers.
organic compounds
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In the title compound, C22H24O3S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.010 (1) Å] of the benzofuran ring system and the benzene ring is 81.78 (4)°. In the crystal, molecules are linked via pairs of C—Hπ interactions into inversion dimers. These dimers are further linked by C—Hπ interactions into supramolecular chains running along the b-axis direction. In addition, C—HO hydrogen bonds are observed between inversion-related dimers.
organic compounds
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In the title compound, C17H15BrO3S, the dihedral angle between the mean planes of the benzofuran and 4-methylphenyl rings is 76.43 (5)°. In the crystal, molecules are linked via pairs of C—HO hydrogen bonds into inversion dimers that are further linked by BrBr [3.6517 (4) Å] contacts about inversion centers into supramolecular sheets that lie parallel to (111).
organic compounds
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In the title compound, C17H15FO3S, the dihedral angle between the mean planes of the benzofuran and 2-fluorophenyl rings is 87.61 (4) Å. In the crystal, molecules are linked via pairs of C—Hπ interactions into inversion-related dimers. These dimers are linked by C—HO hydrogen bonds into supramolecular chains running along the a-axis direction.
organic compounds
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In the title compound, C17H15BrO3S, the dihedral angle between the mean planes of the benzofuran and 3-methylphenyl rings is 77.37 (5)°. In the crystal, molecules are linked via pairs of BrO [BrO = 3.335 (2) Å] contacts into inversion dimers. These dimers are further linked by C—HO hydrogen bonds and π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid separation = 3.884 (3) Å] into supramolecular chains running along the a-axis direction.
organic compounds
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In the title compound, C17H15ClO3S, the dihedral angle between the mean planes of the benzofuran and 3-methylphenyl rings is 76.99 (4)°. In the crystal, molecules are linked by C—HO hydrogen bonds into chains along the b-axis direction. These chains are linked by π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.976 (2) Å].
organic compounds
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In the title compound, C21H22O3S, the cyclopentyl ring adopts a twist conformation. The dihedral angle between the mean planes of the benzofuran and 4-methylphenyl rings is 72.38 (6)°. In the crystal, molecules are linked by C—HO and C—Hπ interactions, forming a three-dimensional supramolecular network.
organic compounds
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In the title compound, C16H12FIO2S, the dihedral angle between the plane of the benzofuran ring system (r.m.s. deviation = 0.023 Å) and that of the 2-fluorophenyl ring is 39.78 (7)°. In the crystal, molecules are linked via pairs of Iπ contacts [3.812 (2) Å] and a π–π interaction between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.821 (2) Å] into inversion dimers. These dimers are further linked by π–π interactions between the furan and benzene rings of neighbouring molecules [centroid–centroid distance = 3.668 (2) Å]. The molecules stack along the a-axis direction. In addition, C—HO hydrogen bonds are observed between inversion-related dimers.
organic compounds
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In the title compound, C22H24O2S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzofuran and 3-methylphenyl moieties is 86.48 (4)°. In the crystal, molecules are connected along the a-axis direction by two different inversion-generated pairs of C—Hπ and C—HO interactions.
organic compounds
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In the title compound, C16H12ClFO2S, the dihedral angle between the mean planes of the benzofuran and 2-fluorophenyl rings is 34.85 (6)°. In the crystal, molecules are linked via pairs of C—HO hydrogen bonds, forming zigzag chains along [001]. The chains are linked by C—Hπ interactions, forming a three-dimensional structure.
organic compounds
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In the title compound, C17H15BrO2S, the dihedral angle between the plane of the benzofuran ring system [r.m.s. deviation = 0.004 (3) Å] and that of the 4-methylphenyl ring is 0.9 (2)°. In the crystal, molecules are linked by C—HO, C—Hπ and Brπ [3.636 (2) Å] interactions, and by π–π interactions between the 4-methylphenyl and furan rings of neighbouring molecules [centroid–centroid distance = 3.650 (2) Å], forming a three-dimensional network.
Keywords: crystal structure.
organic compounds
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In the title compound, C15H10F2O2S, the dihedral angle between the plane of the benzofuran ring system (r.m.s. deviation = 0.015 Å) and that of the 2-fluorophenyl ring is 28.53 (6)°. In the crystal, molecules are linked by C—HO and C—HF hydrogen bonds, and by π–π interactions between the furan and benzene rings of neighbouring molecules [centroid–centroid distance = 3.625 (2) Å], forming a three-dimensional network.
Keywords: crystal structure.
organic compounds
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In the title compound, C18H17FO2S, the dihedral angle between the plane of the benzofuran ring system (r.m.s. deviation = 0.013 Å) and that of the 4-fluorophenyl ring is 74.30 (5)°. In the crystal, weak C—HO and C—HF hydrogen bonds link the molecules into columns extending in direction [100].
Keywords: crystal structure.
data reports
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In the title compound, C15H10ClFO2S, the dihedral angle between the plane of the benzofuran ring system [r.m.s. deviation = 0.013 (1) Å] and that of the 3-fluorophenyl ring [r.m.s. deviation = 0.005 (1) Å] is 31.36 (5)°. In the crystal, molecules are linked by two different pairs of C—HO hydrogen bonds, forming inversion dimers.
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In the title compound, C19H11BrFO2S, the dihedral angle between the plane of the naphthofuran ring system [r.m.s. deviation = 0.043 (2) Å] and that of the 3-fluorobenzene ring is 39.32 (8)°. In the crystal, molecules are linked by C—HO and C—Brπ [3.835 (1) Å] interactions into stacks along the c axis, forming a three-dimensional network. The F atom is disordered over two positions, with site-occupancy factors of 0.851 (3) and 0.149 (3).
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In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.008 Å] and the 4-methylphenyl ring is 77.29 (4)°. In the crystal, molecules are linked by π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.847 (2) Å] and between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.743 (2) Å]. The molecules are stacked along the a-axis direction. In addition, pairs of C—HO hydrogen bonds are observed between inversion-related dimers: these generate R22(12) loops.
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In the title compound, C16H13IO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-methylphenyl ring is 70.35 (5)°. In the crystal, molecules are linked by pairs of π–π interactions between the furan and benzene rings, with centroid–centroid distances of 3.667 (3) and 3.701 (3) Å. The molecules stack along the a-axis direction. In addition, pairs of C—HO hydrogen bonds between inversion-related dimers [which generate R22(10) loops] and a short II [3.7534 (3) Å] contact are observed.