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5-Cyclo-pentyl-2-(4-fluoro-phen-yl)-3-isopropyl-sulfonyl-1-benzofuran.

ABSTRACT: In the title compound, C22H23FO3S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The 4-fluoro-phenyl ring makes a dihedral angle of 43.67 (3)° with the mean plane [r.m.s. deviation = 0.008 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions, forming a three--dimensional network. The crystal structure also exhibits slipped π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.883 (2) Å and slippage = 1.731 (2) Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3588938 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5-Cyclo-hexyl-2-(4-fluoro-phen-yl)-3-isopropyl-sulfonyl-1-benzofuran.

Project description:In the title compound, C(23)H(25)FO(2)S, the cyclo-hexyl ring adopts a chair conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 50.74 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by inter-molecular C-H⋯π inter-actions.

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Project description:There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(14)H(15)FO(3)S, in each of which the cyclo-pentyl ring adopts an envelope conformation. The benzofuran units in each mol-ecule are essentially planar, with mean deviations from the least-squares plane defined by the nine constituent ring atoms of 0.009?(2)?Å for mol-ecule A and 0.013?(2)?Å for mol-ecule B. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds. In the cyclo-pentyl ring of mol-ecule B, one C atom is disordered over two positions with site-occupancy factors of 0.60?(2) and 0.40?(2).

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5-Cyclo-pentyl-2-(3-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(20)H(19)FO(2)S, the benzofuran fragment is essentially planar, with a largest deviation from the mean plane of 0.026 (2) Å. The benzene ring makes a dihedral angle of 30.72 (12)° with this plane. The cyclo-pentyl group adopts an envelope conformation, with the α-C atom as the flap. This atom is disordered over two sites with occupancy factors of 0.803 (16) and 0.197 (16). In the crystal, mol-ecules are linked by weak C-H⋯O, C-H⋯π and C-F⋯π [3.257 (3) Å] inter-actions.

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2-(4-Fluoro-phen-yl)-5-iodo-3-isopropyl-sulfonyl-1-benzofuran.

Project description:There are two symmetry-independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(17)H(14)FIO(3)S. The dihedral angle formed by the 4-fluoro-phenyl ring and the mean plane [r.m.s. deviation = 0.013?(2)?Å in mol-ecule A and 0.016?(2)?Å in mol-ecule B] of the benzofuran fragment is 57.71?(7)° in mol-ecule A and 44.95?(7)° in mol-ecule B. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and I?O contacts [I?O = 3.3646?(15) and 3.2354?(14)?Å], forming a three--dimensional network.

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5-Cyclo-pentyl-2-(4-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(20)H(19)FO(2)S, the cyclo-pentyl ring adopts an envelope conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 27.10?(7)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions. In the cyclo-pentyl ring, one C atom is disordered over two orientations with site-occupancy factors of 0.617?(7) and 0.383?(7).

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Project description:In the title compound, C(14)H(15)ClO(3)S, the cyclo-penyl ring adopts an envelope conformation. In the crystal, mol-ecules are linked by weak inter-molecular 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.

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5-Cyclo-pentyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:In the title compound, C(20)H(20)O(3)S, the cyclo-pentyl 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, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

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5-Cyclo-pentyl-2-(4-methyl-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(21)H(22)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The benzofuran unit is essentially planar, with a mean deviation from the least-squares plane defined by the nine constituent ring atoms of 0.008?(2)?Å. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions, forming inversion dimers. In the ring of the 4-methyl-phenyl group, four C atoms and their attached H atoms are disordered over two sets of sites, with site-ccupancy factors of 0.899?(5) and 0.10.

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2-(4-Fluoro-phen-yl)-5-iodo-3-isopropyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(17)H(14)FIO(2)S, the 4-fluoro-phenyl ring makes a dihedral angle of 18.88?(9)° with the mean plane of the benzofuran ring. In the crystal, pairs of inter-molecular I?O contacts [3.153?(2)?Å] link the mol-ecules into inversion dimers.

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3-Cyclo-hexyl-sulfonyl-5-isopropyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(24)O(3)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, mol-ecules are linked through weak non-classical inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

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