scholarly journals 2,4,6-Tri-p-tolylpyridine

2009 ◽  
Vol 65 (6) ◽  
pp. o1412-o1412
Author(s):  
Si-Ping Tang ◽  
Dai-Zhi Kuang ◽  
Yong-Lan Feng ◽  
Man-Sheng Chen ◽  
Wei Li
Keyword(s):  
Title Compound ◽  
Mirror Symmetry ◽  
Pyridine Ring ◽  
Dihedral Angles ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Reflection Plane

In the title compound, C26H23N, the complete molecule is generated by crystallographic mirror symmetry, with the N atom and four C atoms lying on the reflection plane. The dihedral angles between the pyridine ring and pendant benzene rings are 2.9 (1), 14.1 (1) and 14.1 (1)°. Neighbouring molecules are stabilized through intermolecular π–π interactions along thecaxis [centroid-to-centroid distance = 3.804 (2) Å], forming one-dimensional chains.

scholarly journals 3,5-Bis(4-methoxyphenyl)-1H-1,2,4-triazole monohydrate

2009 ◽  
Vol 65 (6) ◽  
pp. o1260-o1260
Author(s):  
Hai-Ying Wang ◽  
Jian-Ping Ma ◽  
Ru-Qi Huang ◽  
Yu-Bin Dong
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Double Chain ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C16H15N3O2·H2O, the two benzene rings and the triazole ring lie almost in the same plane, the triazole ring forming dihedral angles of 5.07 (9) and 5.80 (8)° with the benzene rings. In the crystal, there are three relatively strong intermolecular O—H...N and N—H...O hydrogen bonds, which lead to the formation of a one-dimensional double chain running parallel to theaaxis. Weak π—π interactions between the benzene rings of neighboring chains with a centroid–centroid distance of 3.893 (4) Å result in the formation of layers parallel to theacplane.

scholarly journals Crystal structure of 2-benzylamino-4-(4-bromophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (3) ◽  
pp. 296-298
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Layered Structure ◽  
Title Compound ◽  
Pyridine Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring

In the title compound C22H18BrN3, the cyclopentane ring adopts an envelope conformation with the central methylene C atom as the flap. The dihedral angles between the central pyridine ring and the pendant benzyl and and bromobenzene rings are 82.65 (1) and 47.23 (1)°, respectively. In the crystal, inversion dimers linked by pairs of N—H...Nn(n = nitrile) hydrogen bonds generateR22(12) loops. These dimers are linked by weak π–π interactions [centroid–centroid distance = 3.7713 (14) Å] into a layered structure.

scholarly journals Ethyl 2-(4-bromophenyl)-1-phenyl-1H-benzimidazole-5-carboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. o1683-o1683 ◽  
Author(s):  
Yeong Keng Yoon ◽  
Mohamed Ashraf Ali ◽  
Tan Soo Choon ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Benzimidazole Ring ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C22H17BrN2O2, the benzimidazole ring system is essentially planar, with a maximum deviation of 0.017 (1) Å, and forms dihedral angles of 27.79 (6) and 64.43 (6)° with the phenyl and bromo-substituted benzene rings, respectively. In the crystal, molecules are linked into one-dimensional chains along the a axis by weak C—H...O hydrogen bonds. Weak intermolecular C—H...π interactions are also present.

scholarly journals 4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (8) ◽  
pp. o881-o882
Author(s):  
Cai-Xia Yuan ◽  
Shu-Fen Lan ◽  
Xin-Yu Liu ◽  
Miao-Li Zhu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C11H11BrN4OS, crystallized as a racemic twin with two symmetry-independent molecules in the asymmetric unit. The dihedral angles between the benzene and triazole rings of the two independent molecules are 56.41 (18) and 54.48 (18)°. An intramolecular O—H...N hydrogen bond occurs in each molecule. In the crystal, pairs of symmetry-independent molecules are linked by pairs of almost linear N—H...S hydrogen bonds, forming cyclic dimers characterized by anR22(8) motif. There are weak π–π interactions between the benzene rings of symmetry-independent molecules, with a centroid–centroid distance of 3.874 (3) Å.

scholarly journals 4-[(E)-(4-Fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1607-o1607 ◽  
Author(s):  
H. C. Devarajegowda ◽  
S. Jeyaseelan ◽  
R. Sathishkumar ◽  
Agnes Sylvia D'souza ◽  
Alphonsus D'souza
Keyword(s):  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecule ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

In the asymmetric unit of the title compound, C10H9FN4S, there are two independent molecules in which the dihedral angles between the 1,2,4-triazole and benzene rings are 36.85 (10) and 7.81 (10)°. In the crystal, N—H...S interactions link pairs of independent molecules into dimers. There are also π–π interactions between the triazole and benzene rings of inversion-related pairs of the more planar molecule [centroid–centroid distance = 3.6430 (13) Å].

scholarly journals 4-[Amino(3-methylphenyl)methylidene]-2-(3-methylphenyl)-1H-imidazol-5(4H)-one ethanol hemisolvate

2013 ◽  
Vol 69 (2) ◽  
pp. o174-o174 ◽  
Author(s):  
M. Prabhuswamy ◽  
S. Madan Kumar ◽  
C. P. Muneer ◽  
P. M. Shafi ◽  
N. K. Lokanath
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C18H17N3O·0.5C2H5OH, the dihedral angles between the central imidazole rings and the pendant benzene rings are 42.06 (15) and 2.01 (16)° in one asymmetric molecule and 47.91 (15) and 7.31 (14)° in the other. An intramolecular N—H...O hydrogen bond occurs in each imidazole molecule. In the crystal, the components are connected by O—H...N, N—H...O, C—H...O and N—H...N hydrogen bonds. Weak aromatic π–π interactions also occur [shortest centroid–centroid distance = 3.684 (3) Å].

scholarly journals 1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Bassam Abu Thaher ◽  
Dieter Schollmeyer ◽  
Basem Qeshta ◽  
Kanan M. Wahedy ◽  
Ihab M. Almasri ◽  
...  
Keyword(s):  
Title Compound ◽  
Pyridine Ring ◽  
Crystal Packing ◽  
Ring System ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C20H10Cl3N5O, the 13-membered ring system makes dihedral angles of 78.64 (9)° with the trichlorophenyl ring and 62.60 (10)° with the pyridine ring. The crystal packing is dominated by π–π interactions between the 13-membered ring systems [centroid–centroid distance = 3.6655 (11)°].

scholarly journals 1-[2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone

2012 ◽  
Vol 68 (6) ◽  
pp. o1901-o1901 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Suhana Arshad ◽  
P. C. Shyma ◽  
Balakrishna Kalluraya ◽  
T. Arulmoli
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C16H14ClN3O2, the 2,3-dihydro-1,3,4-oxadiazole ring [maximum deviation = 0.030 (1) Å] and the pyridine ring [maximum deviation = 0.012 (1) Å] are inclined slightly to one another, making a dihedral angle of 11.91 (5)°. The chloro-substituted phenyl ring is almost perpendicular to the 2,3-dihydro-1,3,4-oxadiazole and pyridine rings at dihedral angles of 86.86 (5) and 75.26 (5)°, respectively. In the crystal, π–π [centroid–centroid distance = 3.7311 (6) Å] and C—H...π interactions are observed.

scholarly journals Crystal structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione

2015 ◽  
Vol 71 (11) ◽  
pp. 1411-1413 ◽  
Author(s):  
Ajaykumar D. Kulkarni ◽  
Md. Lutfor Rahman ◽  
Mashitah Mohd. Yusoff ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Ring Motif

The title compound, C23H22FN5S, exists in atransconformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linkedviaC—H...π interactions, forming chains along [1-10]. The chains are linkedviaπ—π interactions involving inversion-related triazole rings [centroid–centroid distance = 3.4340 (13) Å], forming layers parallel to theabplane.

scholarly journals N′-(3-Hydroxybenzylidene)-4-methylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1816-o1816
Author(s):  
Ji-Lai Liu ◽  
Ming-Hui Sun ◽  
Jing-Jun Ma
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C15H14N2O2, was obtained from the reaction of 3-hydroxybenzaldhyde and 4-methylbenzohydrazide in methanol. In the molecule, the benzene rings form a dihedral angle of 2.9 (3)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into layers parallel to (101). The crystal packing also exhibits π–π interactions between the aromatic rings [centroid–centroid distance = 3.686 (4) Å].

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