scholarly journals 4-Fluoro-N-(4-hydroxybenzylidene)aniline

2014 ◽  
Vol 70 (8) ◽  
pp. o860-o860
Author(s):  
L. Jothi ◽  
G. Anuradha ◽  
G. Vasuki ◽  
R. Ramesh Babu ◽  
K. Ramamurthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Schiff Bases ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C13H10FNO, the benzene ring planes are inclined at an angle of 50.52 (8)°. A characteristic of aromatic Schiff bases withN-aryl substituents is that the terminal phenyl rings are twisted relative to the plane of the HC=N link between them. In this case, the HC=N unit makes dihedral angles of 10.6 (2) and 40.5 (2)° with the hydroxybenzene and flurobenzene rings, respectively. In the crystal, O—H...N and C—H...F hydrogen bonds lead to the formation of chains along thec-andb-axis directions, respectively. C—H...π contacts link molecules alongaand these contacts combine to generate a three-dimensional network with molecules stacked along theb-axis direction.

scholarly journals 3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Jianchao Xu ◽  
Hewen Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C19H20N4OS, the 1,2,4-triazole ring forms dihedral angles of 58.64 (9) and 87.68 (9)° with the phenyl rings, which are inclined to one another by 43.30 (6)°. In the crystal, molecules are linked by N—H...O, N—H...S and C—H...S hydrogen bonds, forming chains propagating along thec-axis direction. Neighbouring chains are linked by three C—H...π interactions, forming layers parallel to thebcplane. Finally, the layers are linked by a fourth C—H...π interaction, forming a three-dimensional network.

scholarly journals 3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Ganesan Suresh ◽  
Sarangapani Muniraj
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In the title compound, C16H13ClN2S, the pyrazole ring is almost planar with an r.m.s. deviation of 0.0457 Å which forms dihedral angles of 2.875 (4) and 84.83 (7)° with the chloro-substituted benzene ring and the methylsulfanyl-substituted ring, respectively. In the crystal, N—H...N and C—H...Cl hydrogen bonds contribute to the formation of a three-dimensional network. In addition, several offset π–π stacking interactions are also present.

scholarly journals Crystal structure of oryzalin

2015 ◽  
Vol 71 (6) ◽  
pp. o429-o429 ◽  
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Youngeun Jeon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Ring Plane ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

The title compound, C12H18N4O6S (systematic name: 4-dipropylamino-3,5-dinitrobenzenesulfonamide), is a sulfonamide with herbicidal properties marketed as oryzalin. The dihedral angles between the benzene ring and the mean planes of the nitro groups are 26.15 (11) and 54.80 (9)°. The propyl arms of the dipropylamino substituent lie on opposite sides of this ring plane. In the crystal, N—H...O and C—H...O hydrogen bonds generate a three-dimensional network.

scholarly journals The crystal structure of zwitterionic 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate

2017 ◽  
Vol 73 (7) ◽  
pp. 927-931 ◽  
Author(s):  
C. S. Chidan Kumar ◽  
Ai Jia Sim ◽  
Weng Zhun Ng ◽  
Tze Shyang Chia ◽  
Wan-Sin Loh ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

The asymmetric unit of the title compound, C15H15N3O3·0.5H2O, comprises two 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate zwitterions (AandB) and a water molecule. The dihedral angles between the pyridine and phenyl rings in the zwitterions are 53.69 (10) and 73.56 (11)° inAandB, respectively. In the crystal, molecules are linked by N—H...O, O—H...O, C—H...O and C—H...π(ring) hydrogen bonds into a three-dimensional network. The crystal structure also features π–π interactions involving the centroids of the pyridine and phenyl rings [centroid–centroid distances = 3.5618 (12) Å inAand 3.8182 (14) Å inB].

scholarly journals Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
F. M. Mashood Ahamed ◽  
M. Syed Ali Padusha ◽  
B. Gunasekaran
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
Dihydropyridine Ring

In the title compound, C24H24ClNO4, the dihydropyridine ring adopts a flattened boat conformation. The plane of the pyridine ring subtends dihedral angles of 74.54 (6) and 85.69 (5)° with those of the phenyl and chlorophenyl rings, respectively. The dihedral angle between the planes of the chlorophenyl and phenyl rings is 72.20 (7)°. In the crystal, molecules are linked into [100]C(6) chains by N—H...O hydrogen bonds. The chains are cross-linked by weak C—H...O interactions to generate a three-dimensional network.

scholarly journals N-[(1R,2S)-1-(4-Bromophenyl)-2-fluoro-3-(2-methylphenyl)-3-oxopropyl]-4-nitrobenzamide

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Yu-hang Luo ◽  
Yan Feng ◽  
Xin-ran Zhang ◽  
Jin-rong Zhang ◽  
Yi-Yang Chen ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Chiral Carbon ◽  
Dimensional Network ◽  
Phenyl Rings

The title compound, C23H18BrFN2O4, contains two chiral carbon centres and the absolute configuration has been confirmed as (1R,2S). The dihedral angles between the three phenyl rings are 12.4 (4), 34.2 (4) and 44.5 (4)°. In the crystal, molecules are linked by N—H...O hydrogen bonds into chains, which which are further connected by C—H...O interactions, generating a three dimensional network structure.

scholarly journals (E)-4-(Benzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethylidene)aniline hemihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Li Hong ◽  
Zhang Xin
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzothiazole Derivative ◽  
Compound C ◽  
Dimensional Network

The title compound, C19H13N3S·0.5H2O, is a benzothiazole derivative that crystallized as a hemihydrate, the water O atom being situated on a twofold rotation axis. The dihedral angles between the central benzene ring and the benzothiazole (r.m.s. deviation = 0.012 Å) and pyridine rings are 3.57 (6) and 10.12 (8)°, respectively, indicating that the molecule is nearly planar. The conformation about the N=C bond is E. In the crystal, molecules are linked by Owater—H...Npyridine hydrogen bonds, forming dimers, which in turn are linked by C—H...O hydrogen bonds into layers parallel to the ab plane. The layers are linked by offset π–π interactions, forming a three-dimensional network [shortest intercentroid distance = 3.721 (2) Å].

scholarly journals 2-(3,4-Dimethoxyphenyl)-1-pentyl-4,5-diphenyl-1H-imidazole

2013 ◽  
Vol 69 (12) ◽  
pp. o1833-o1834
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Adel A. Marzouk ◽  
Kuldip Singh ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Phenyl Rings

The central imidazole ring in the title compound, C28H30N2O2, makes dihedral angles of 28.42 (13), 71.22 (15) and 29.50 (14)°, respectively, with the phenyl rings in the 4- and 5-positions and the 3,4-dimethoxyphenyl group. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds, weak π–π stacking interactions [centroid–centroid distance = 3.760 (2) Å] and C—H...π contacts, forming a three-dimensional network.

scholarly journals 4′-Cyanobiphenyl-4-yl 7-diethylamino-2-oxo-2H-chromene-3-carboxylate

2013 ◽  
Vol 69 (2) ◽  
pp. o266-o266 ◽  
Author(s):  
S. Sreenivasa ◽  
H. T. Srinivasa ◽  
B. S. Palakshamurthy ◽  
Vijith Kumar ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Diethylamino Group ◽  
Coumarin Ring

In the title compound, C27H22N2O4, the dihedral angles between the central benzene ring and the cyanobenzene ring and the 2H-coumarin ring system (r.m.s. deviation = 0.014 Å) are 22.95 (11) and 75.59 (8)°, respectively. Both terminal C atoms of the pendant diethylamino group lie to the same side of the coumarin ring system [deviations = 1.366 (2) and 1.266 (2) Å]. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds and a C—H...π interaction, generating a three-dimensional network.

scholarly journals 3-n-Pentyl-5,5-diphenylimidazolidine-2,4-dione

IUCrData ◽  
2017 ◽  
Vol 2 (11) ◽  
Author(s):  
Walid Guerrab ◽  
Rachida Akrad ◽  
Mhammed Ansar ◽  
Jamal Taoufik ◽  
Joel T. Mague ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C20H22N2O2, the central five-membered imidazolidine ring makes dihedral angles of 63.85 (6) and 70.38 (6)° with the two substituent phenyl rings. In the crystal, molecules form an inversion dimer through a pair of N—H...O hydrogen bonds. These are linked into a three-dimensional networkviaC—H...O hydrogen bonds. Then-pentyl chain is disordered over two sites, with an occupancy ratio of 0.876 (2):0.124 (2).

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