scholarly journals 5-Cyclohexyl-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran

2012 ◽  
Vol 68 (4) ◽  
pp. o947-o947 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Interplanar Distance ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C22H24O2S, the cyclohexyl ring adopts a chair conformation. The 4-methylphenyl ring makes a dihedral angle of 81.60 (5)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O hydrogen bonds and weak π–π interactions between the furan rings of adjacent molecules [centroid–centroid distance = 3.545 (2) Å, interplanar distance = 3.489 (2) Å and slippage = 0.628 (2) Å.

scholarly journals 1-(4-Bromophenylsulfinyl)-2-methylnaphtho[2,1-b]furan

2012 ◽  
Vol 68 (4) ◽  
pp. o1246-o1246
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Interplanar Distance ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C19H13BrO2S, the 4-bromophenyl ring makes a dihedral angle of 83.75 (4)° with the mean plane of the naphthofuran fragment [r.m.s. deviation = 0.024 (2) Å]. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming inversion dimers. These dimers are connected by weak π–π interactions between the central naphthofuran benzene rings of neighbouring molecules [centroid–centroid distance = 3.483 (2) Å, interplanar distance = 3.416 (2) Å and slippage = 0.680 (2) Å].

scholarly journals 3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o309-o309 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Interplanar Distance ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean

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—H...O and C—H...π 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.

scholarly journals 3-(3-Chlorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran

2012 ◽  
Vol 68 (4) ◽  
pp. o943-o943
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Interplanar Distance ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C17H15ClO2S, the 3-chlorophenyl ring makes a dihedral angle of 84.48 (4)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O, C—H...π and C—S...π [3.414 (2) Å] interactions. The crystal structure also exhibits weak π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 3.826 (2), interplanar distance = 3.447 (2) and slippage = 1.660 (2) Å].

scholarly journals 3-(2-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o324-o324 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Short Distance ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

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 dimersviaC—H...π 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—H...O hydrogen bonds and short Br...O [3.280 (1) Å] contacts further consolidate the crystal packing.

scholarly journals 2-Methyl-1-(3-methylphenylsulfonyl)naphtho[2,1-b]furan

2014 ◽  
Vol 70 (4) ◽  
pp. o416-o416
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean ◽  
Supramolecular Chains

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 linkedviapairs of C—H...O 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 thea-axis direction.

scholarly journals 5-Bromo-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran

2012 ◽  
Vol 68 (8) ◽  
pp. o2491-o2491 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Site Occupancy ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C15H10BrFO2S, the 3-fluorophenyl ring makes a dihedral angle of 85.0 (1)° with the mean plane [r.m.s. deviation = 0.008 (2) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O hydrogen bonds and a Br...O contact [3.200 (3) Å]. The crystal structure also exhibits slipped π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.619 (4) Å and slippage of 1.389 (4) Å]. In the 3-fluorophenyl ring, the F atom is disordered over two positions with site-occupancy factors of 0.583 (5) and 0.417 (5).

scholarly journals (4E)-1-Phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Eman A. Ahmed ◽  
Alaa F. Mohamed ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Stacking Interactions ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings

In the title compound, C15H17N3O2, the dihedral angle between the planes of the pyrazolidine and phenyl rings is 29.91 (6)°. The piperidine ring adopts a chair conformation. In the crystal, molecules are linked into chains running parallel to thea-axis direction by a combination of N—H...O and C—H...O hydrogen bonds. Furthermore, there exist C—H...π interactions and π–π stacking interactions [centroid-to-centroid distance = 3.5274 (10) Å] between the pyrazolidine rings of adjacent molecules.

scholarly journals 5-Cyclohexyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o466-o466
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Ring System ◽  
Supramolecular Network ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

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 dimersviapairs of C—H...π 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.

scholarly journals 5-Fluoro-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o482-o482
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

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 linkedviapairs 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 thea-axis direction. In addition, C—H...O and C—H...π hydrogen bonds are observed between inversion-related dimers.

scholarly journals 5-Cyclohexyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o494-o494
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

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 linkedviapairs of C—H...π interactions into inversion dimers. These dimers are further linked by C—H...π interactions into supramolecular chains running along theb-axis direction. In addition, C—H...O hydrogen bonds are observed between inversion-related dimers.

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