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 Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran

2014 ◽  
Vol 70 (9) ◽  
pp. o1018-o1019 ◽  
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

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 thea-axis direction. In addition, pairs of C—H...O hydrogen bonds are observed between inversion-related dimers: these generateR22(12) loops.

scholarly journals 2-(2-Fluorophenyl)-5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (6) ◽  
pp. o659-o659
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

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

scholarly journals 5-Chloro-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o458-o458
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Other Hand ◽  
Centroid Distance ◽  
The Mean

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 thea-axis direction.

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 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 Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Yassir Filali Baba ◽  
Youssef Kandri Rodi ◽  
Sonia Hayani ◽  
Jerry P. Jasinski ◽  
Manpreet Kaur ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Mirror Plane ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C13H13NO3, lies on a mirror plane with an intramolecular C—H...O hydrogen bond enclosing anS(6) ring. In the crystal, weak C—H...O hydrogen bonds link the molecules into zigzag chains along thea-axis direction and π–π interactions, with a centroid-to-centroid distance of 3.7003 (2) Å, involving the pyridine and benzene rings of the oxoquinoline ring system, pack the molecules into parallel layers.

scholarly journals 5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (7) ◽  
pp. o829-o829
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings

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—H...O and C—H...F 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.

scholarly journals Crystal structure of 3-(2-bromophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran

2014 ◽  
Vol 70 (11) ◽  
pp. o1152-o1152 ◽  
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C17H15BrO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.016 (2) Å] and the 2-bromophenyl ring is 82.93 (6)°. In the crystal, molecules are linkedviapairs of C—H...π hydrogen bonds and π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.881 (2) Å] into inversion-related dimers along theb-axis direction. These dimers are further linked by short Br...O [3.185 (2) Å] contacts.

scholarly journals 6-Bromo-2-(4-chlorophenyl)-3-methyl-3H-imidazo[4,5-b]pyridine

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Selma Bourichi ◽  
Youssef Kandri Rodi ◽  
Younes Ouzidan ◽  
Joel T. Mague ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

In the title compound, C13H9BrClN3, the imidazopyridine fused-ring system is almost planar, with r.m.s. deviation of 0.006 (19) Å, and makes a dihedral angle of 29.32 (8)° with the mean plane of the 4-chlorophenyl group. In the crystal, C—H...N hydrogen bonds link the molecules into chains propagating in the [100] direction. Weak intermolecular π–π interactions between the five- and six-membered rings of the 3H-imidazo[4,5-b]pyridine moieties of neighbouring molecules [centroid–centroid distance = 3.8648 (12) Å] further consolidate the packing into layers parallel to theabplane.

scholarly journals 5-Chloro-2,7-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran

2014 ◽  
Vol 70 (5) ◽  
pp. o568-o568 ◽  
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

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—H...O hydrogen bonds into chains along theb-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].

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