scholarly journals Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)methyl]benzoate

2014 ◽  
Vol 70 (12) ◽  
pp. o1287-o1287
Author(s):  
Ju-Xian Wang ◽  
Chao Feng
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Methyl Benzoate ◽  
Side Chain ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain isanti[C—O—C—C = −175.4 (3)°]. In the crystal, the only directional interactions are very weak C—H ...π interactions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.

scholarly journals Crystal structure of 1-benzyl-3-methyl-1H-imidazolium hexafluoridophosphate

2014 ◽  
Vol 70 (12) ◽  
pp. o1248-o1249 ◽  
Author(s):  
Patrick C. Hillesheim ◽  
Kent A. Scipione
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Imidazolium Ring ◽  
Adjacent Molecule

In the title salt, C11H13N2+·PF6−, the dihedral angle between the planes of the imidazole and benzene rings is 84.72 (4)°. In the crystal, C—H...F interactions connect the cation and anion pairs into a three-dimensional network. Weak π–π interactions are observed between the imidazolium ring and the aromatic benzene ring of an adjacent molecule with C...C and C...N distances ranging from 3.3714 (16) to 3.4389 (15) Å.

scholarly journals Crystal structure of 1,1′-[selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one)

2015 ◽  
Vol 71 (12) ◽  
pp. o935-o936 ◽  
Author(s):  
Hazem Bouraoui ◽  
Ali Boudjada ◽  
Noudjoud Hamdouni ◽  
Youcef Mechehoud ◽  
Jean Meinnel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Torsion Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C16H12Cl2O2Se, the C—Se—C angle is 100.05 (14)°, with the dihedral angle between the planes of the benzene rings being 69.92 (17)°. The average endocyclic angles (Se—Car—Car; ar = aromatic) facing the Se atom are 120.0 (3) and 119.4 (3)°. The Se atom is essentially coplanar with the benzene rings, with Se—Car—Car—Cartorsion angles of −179.2 (3) and −179.7 (3)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming chains propagating along thea-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional network.

scholarly journals Crystal structure of 1-(2-chloroacetyl)-2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one

2014 ◽  
Vol 70 (10) ◽  
pp. 262-264 ◽  
Author(s):  
S. Jothivel ◽  
Jibon Kotoky ◽  
S. Kabilan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Piperidine Ring ◽  
Boat Conformation ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C21H20ClF2NO2, the piperidine ring adopts a slightly distorted boat conformation. The two benzene rings form a dihedral angle of 87.43 (1)°. A weak intramolecular C—H...π interaction is observed. In the crystal, weak C—H...O hydrogen bonds and weak C—H...π interactions connect the molecules, forming a three-dimensional network.

scholarly journals 2-[(E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. o1851-o1852
Author(s):  
Suchada Chantrapromma ◽  
Nawong Boonnak ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings

The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3−·H2O. The cation exists in anEconformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hydroxy and methoxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmethyl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π interactions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water molecules are linked by O—H...O hydrogen bonds and weak C—H...O interactions, forming a three-dimensional network.

scholarly journals Crystal structure of (2E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. o1158-o1159 ◽  
Author(s):  
S. Sathya ◽  
D. Reuben Jonathan ◽  
K. Prathebha ◽  
J. Jovita ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Methoxy Group ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Two Component ◽  
Benzene Rings

In the title moleclue, C16H14O4, the dihedral angle between the benzene rings is 16.1 (3)°. The methoxy group is essentially coplanar with the benzene ring to which it is attached, with a C—O—C...;C torsion angle of 5.5 (9)°. In the crystal, molecules are linked by O—H...O and bifurcated O—H...(O,O) hydrogen bonds, forming a three-dimensional network. The structure was refined as a two-component inversion twin.

scholarly journals 4-Methoxybenzylammonium nitrate

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
P. Umarani ◽  
A. Thiruvalluvar ◽  
C. Ramachandra Raja
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
General Position ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Nitrate Anion ◽  
Π Interactions ◽  
Dimensional Network

In the title salt, C8H12NO+·NO3−, the 4-methoxybenzylammonium cation lies in the mirror planemof space groupPnmaand is thus planar by symmetry. The nitrate anion is also planar by symmetry, with an N...;O group in the mirror plane and one O atom in a general position. The dihedral angle between the benzene ring and the planar nitrate anion is constrained to be exactly 90°, because of the relative special positions for both ions. In the crystal, the cations are connected to the anions by C—H...O, C—H...N, N—H...N and N—H...O hydrogen bonds. Further, the crystal structure also features two C—H...π interactions involving the benzene ring of the cation, forming a three-dimensional network.

scholarly journals Crystal structure of oxadiargyl

2015 ◽  
Vol 71 (7) ◽  
pp. o494-o494 ◽  
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Hyunjin Park ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Short Contacts

In the title compound {systematic name: 5-tert-butyl-3-[2,4-dichloro-5-(prop-2-ynyloxy)phenyl]-1,3,4-oxadiazol-2(3H)-one}, C15H14Cl2N2O3, which is an oxadiazolone herbicide, the dihedral angle between the planes of the oxadiazolone and benzene rings is 65.84 (6)°. In the crystal, weak intermolecular Cl...Cl [3.3600 (7) Å] short contacts link adjacent molecules, forming chains along theb-axis direction. These chains are linked by C—H...O, C—H...N and C—H...Cl hydrogen bonds, generating a three-dimensional network. Weak C—H...π interactions are also present.

scholarly journals Crystal structure of (E)-1-(2,4-dinitrophenyl)-2-[(E)-5-phenyl-1-(p-tolyl)pent-2-en-4-yn-1-ylidene]hydrazine

2015 ◽  
Vol 71 (11) ◽  
pp. o846-o847
Author(s):  
Alexander A. Golovanov ◽  
Anna V. Vologzhanina ◽  
Evgeniya D. Voronova ◽  
Vadim V. Bekin ◽  
Sergey V. Naumov
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C24H18N4O4, the plane of the phenyl ring is inclined to those of the toluene ring and the dinitro-substituted benzene ring by 66.96 (19) and 47.06 (18)°, respectively, while the planes of the two benzene rings are inclined to one another by 36.26 (19)°. There is an intramolecular N—H...O hydrogen bond between the NH group and the O atom of a nitro group, forming anS(6) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network. There are also weak π–π interactions present involving the phenyl ring and the dinitro-substituted benzene ring [inter-centroid distance = 3.741 (2) Å].

scholarly journals Crystal structure of 4-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate

2015 ◽  
Vol 71 (6) ◽  
pp. o374-o375 ◽  
Author(s):  
H.C. Devarajegowda ◽  
P. A. Suchetan ◽  
S. Sreenivasa ◽  
H. T. Srinivasa ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Coumarin Ring

In the title compound, C17H12O5, the dihedral angle between the planes of the coumarin ring system (r.m.s. deviation = 0.015 Å) and the benzene ring is 48.04 (10)°. The central CO2group subtends a dihedral angle of 27.15 (11)° with the coumarin ring system and 74.86 (13)° with the benzene ring. In the crystal, molecules are linked by C—H...O interactions, which generate a three-dimensional network. Very weak C—H...π interactions are also observed.

scholarly journals 6-[4-(Diphenylamino)phenyl]quinoline 1-oxide

2012 ◽  
Vol 68 (8) ◽  
pp. o2543-o2543
Author(s):  
Li-Zhi Wang ◽  
Yun Chi ◽  
Xiang-Xiang Li ◽  
Jian-Ning Guan
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Π Interactions ◽  
Benzene Rings ◽  
The Mean ◽  
Title Molecule ◽  
Triphenylamine Derivative

In the title molecule, C27H20N2O, a triphenylamine derivative of quinoline, the three benzene rings linked through an N atom form a propeller shape, with dihedral angles between the mean planes of pairs of rings of 75.57 (9), 55.68 (9) and 83.66 (9)°. The quinoline ring is essentially planar, with an r.m.s. deviation of the fitted atoms of 0.0155 Å, and forms a dihedral angle of 33.52 (8)° with the benzene ring to which it is bonded. Weak C—H...π interactions are also observed in the crystal structure.

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