scholarly journals Ethyl 2-[(E)-({2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]benzylidene}amino)oxy]acetate

IUCrData ◽  
2021 ◽  
Vol 6 (9) ◽  
Author(s):  
Jiha Sung
Keyword(s):  
Double Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings

In the title compound, C22H25NO6, the C=C double bond linking the benzene rings adopts an E configuration and the dihedral angle between the rings is 47.1 (2)°. The oxime unit contains a C=N double bond, which also has an E configuration. In the crystal, pairs of C—H...N hydrogen bonds generate inversion dimers and weak C—H...O interactions link the dimers into chains propagating along the b-axis direction.

scholarly journals (E)-N′-(4-Isopropylbenzylidene)isonicotinohydrazide monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1002-o1002 ◽  
Author(s):  
Mashooq A. Bhat ◽  
Hatem A. Abdel-Aziz ◽  
Hazem A. Ghabbour ◽  
Madhukar Hemamalini ◽  
Hoong-Kun Fun
Keyword(s):  
Double Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C16H17N3O·H2O, the isonicotinohydrazide molecule adopts anEconformation about the central C=N double bond. The dihedral angle between the pyridine and the benzene rings is 54.56 (15)°. In the crystal, molecules are connectedviaN—H...O, O—H...N and O—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals (E)-N′-(3-Fluorobenzylidene)-4-methylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1643-o1643
Author(s):  
Hua-Nan Hu ◽  
Shi-Yong Liu
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings

In the title compound, C15H13FN2O, the dihedral angle between the benzene rings is 16.9 (2)°. The F atom and the O atom are in a syn conformation. In the crystal, molecules are linked by N—H...O hydrogen bonds to generate C(4) chains propagating along the b-axis direction.

scholarly journals 3,5-Dichloro-N-(4-methylphenyl)benzenesulfonamide

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
K. Shakuntala ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
P. A. Suchetan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The molecule of the title compound, C13H11Cl2NO2S, is U-shaped with the central C—S—N—C segment having a torsion angle of 67.2 (4)°. The dihedral angle between the benzene rings is 57.0 (2)°. In the crystal, molecules are linked via N—H...O and C—H...O hydrogen bonds, forming chains propagating along the a-axis direction. The chains are linked by C—H...π interactions, forming a three-dimensional supramolecular structure.

scholarly journals N′-[(1E)-1-(2-Fluorophenyl)ethylidene]pyridine-3-carbohydrazide

2014 ◽  
Vol 70 (2) ◽  
pp. o115-o115 ◽  
Author(s):  
P. B. Sreeja ◽  
M. Sithambaresan ◽  
N. Aiswarya ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bond ◽  
Double Bond ◽  
Bond Length ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Compound C ◽  
Planar Molecule ◽  
Benzene Rings ◽  
Adjacent Molecule

The title compound, C14H12FN3O, adopts anEconformation with respect to the azomethine double bond whereas the N and methyl C atoms are in aZconformation with respect to the same bond. The ketonic O and azomethine N atoms arecisto each other. The non-planar molecule [the dihedral angle between the benzene rings is 7.44 (11)°] exists in an amido form with a C=O bond length of 1.221 (2) Å. In the crystal, a bifurcated N—H...(O,N) hydrogen bond is formed between the amide H atom and the keto O and imine N atoms of an adjacent molecule, leading to the formation of chains propagating along theb-axis direction. Through a 180° rotation of the fluorophenyl ring, the F atom is disordered over two sites with an occupancy ratio of 0.632 (4):0.368 (4).

scholarly journals 4-Methoxy-N′-(3-nitrobenzylidene)benzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1725-o1725 ◽  
Author(s):  
Jin-Long Hou ◽  
Ye Bi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings

In the title compound, C15H13N3O4, the dihedral angle between the benzene rings is 3.1 (3)°. The molecule displays an E conformation about the C=N bond. In the crystal, molecules are linked via N—H...O hydrogen bonds, generating chains that propagate along the b-axis direction. There is also a C—H...O interaction present.

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 1-[5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

IUCrData ◽  
2021 ◽  
Vol 6 (1) ◽  
Author(s):  
Miri Yoo ◽  
Dongsoo Koh
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings

In the title compound, C20H22N2O4, two benzene rings bearing methoxy substituents are connected by a central acetylpyrazoline ring: the dihedral angle between the benzene rings is 83.7 (1)°. In the crystal, pairwise C—H...O hydrogen bonds generate inversion dimers and additional weak C—H...O interactions link the dimers into chains propagating along the c-axis direction.

scholarly journals (E)-3-{4,6-Dimethoxy-2-[(E)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one

IUCrData ◽  
2020 ◽  
Vol 5 (6) ◽  
Author(s):  
Miri Yoo ◽  
Dongsoo Koh
Keyword(s):  
Hydrogen Bond ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Hydroxyl Group ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C28H28O6, the benzene rings in the resveratrol moiety are connected by a trans C=C double bond, and the hydroxyl group containing a benzene ring and the central benzene ring are linked through a C=(O)—C=C (enone) moiety to form a chalcone unit. An intramolecular O—H...O hydrogen bond generates an S(6) ring motif. In the crystal, pairs of C—H...O hydrogen bonds generate dimers and additional weak C—H...O interactions link the dimers into chains propagating along the b-axis direction.

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