Search results for "Dihedral angle"
showing 10 items of 207 documents
1-Benzyloxy-1H-benzotriazole
2012
In the title compound, C13H11N3O, the dihedral angle between the benzotriazole ring system [maximum deviation = 0.027 (16) Å] and the benzene ring is 10.28 (9)°. The C—C—O—N bond adopts an anti conformation [torsion angle = −177.11 (16)°]. In the crystal, the molecules interact via weak C—H...π interactions and aromatic π–π stacking [centroid-to-centroid distance = 3.731 (12) Å].
1-Benzyl-1H-benzotriazole 3-oxide monohydrate
2012
In the title hydrate, C13H11N3O·H2O, the benzotriazole ring system is planar (r.m.s. deviation = 0.007 Å) and is almost orthogonal to the phenyl ring to which it is linked by a methylene group, forming a dihedral angle of 81.87 (15)°. In the crystal, molecules are linked into chains along [001] by O—H...O hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C—H...O, C—H...π and π–π [centroid–centroid distance between the five- and six-membered rings of the benzotriazole ring system = 3.595 (3) Å] interactions.
1-Mesitylmethyl-1Hbenzotriazole 3-oxide.
2010
In the title compound, C16H17N3O, the benzotriazole ring forms a dihedral angle of 77.25 (6)° with the phenyl ring. The benzotriazole ring is essentially planar with a maximum deviation of 0.012 (19) Å. Weak intermolecular C—H...O hydrogen bonds form R22(10) motifs. The crystal packing is consolidated by π—π interactions with centroid–centroid distances of 3.5994 (12) Å together with very weak C—H...π interactions.
1-Benzyl-1H-benzotriazole 3-oxide-1-hy-droxy-1H-benzotriazole (1/1).
2012
In the title compound, C6H5N3O·C13H11N3O, the benzotriazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A) molecule is close to being planar (r.m.s. deviation = 0.011 Å); its mean plane forms a dihedral angle of 67.56 (7)° with that of the attached phenyl ring. The benzotriazole ring system in the 1-hydroxybenzotriazole (B) molecule is also close to being planar (r.m.s. deviation = 0.010 Å). In the crystal, weak C—H...O and C—H...π interactions are present. TheAandBmolecules are linked by an O—H...N hydrogen bond.
4-(4-Fluorophenyl)-2-methyl-3-(1-oxy-4-pyridyl)isoxazol-5(2H)-one
2008
The crystal structure of the title compound, C15H11FN2O3, was determined as part of a study on the biological activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The dihedral angles between rings are isoxazole/benzene = 55.0 (3)°, isoxazole/pyridine = 33.8 (2)° and benzene/pyridine = 58.1 (2)°.
Triphenyl[(4-phenylbenzoyl)methyl]phosphonium trifluoromethanesulfonate
2010
In the cation of the title compound, C32H26OP+·CF3O3S−, the dihedral angle between the benzene rings of the biphenyl group is 42.37 (8)°. In the crystal, the cations and anions interact through intermolecular C—H...O hydrogen bonds, forming chains parallel to the b axis. These chains are further linked by C—H...π stacking interactions into layers parallel to the bc plane.
Magnetoelectrochemistry of 4,4′-bis(dimethylamino)biphenyl and 4,4′-dinitrobiphenyl azacrown macrocyclic lactams
2005
Abstract The voltammetric behaviour at carbon fibre microelectrodes under the application of static magnetic fields of two series of macrolactams containing in their structure 4,4′-bis(dimethylamino)biphenyl or 4,4′-dinitrobiphenyl groups in MeCN solution is described. The response of 4,4′-dinitrobiphenyl receptors is dominated by two successive one-electron reduction processes at −0.9 and −1.6 V versus AgCl/Ag. 4,4′-bis(dimethylamino)biphenyl-containing receptors display two one-electron oxidations above +0.8 and +1.0 V. In both cases, a dihedral/planar interconversion precedes the second electron transfer step. Upon application of moderate (0.05–0.2 T) static magnetic fields to the electr…
Polyazapodands Derived from Biphenyl. Study of their Behaviour as Conformationally Regulated Fluorescent Sensors
2004
Eight new polyazapodands containing a 4,4′-substituted biphenyl moiety have been synthesised. Four (7, 8, 9 and 11) are functionalised on positions 4 and 4′ with a nitro group and four (1, 2, 3 and 10) with a dimethylamino substituent. Comparison of the emission behaviour of 1, 2, 3 with that of the reference compounds 10 and tetramthylbenzidine, clearly suggests that a modification in the dihedral angle between the biphenyl rings is an important factor in determining the fluorescent response of the molecule. The fluorescence is pH dependent, due to the formation of intramolecular hydrogen bonds between protonated aliphatic nitrogens and a carbonyl oxygen, which influences the aforementione…
2,5-Dimethyl-4′-nitrobiphenyl
2006
The title compound, C14H13NO2, is a non-planar biphenyl derivative, in which the dihedral angle between the benzene rings is 62.65 (5) °.
Biphenyl-4-yl 4-methylbenzenesulfonate
2017
Molecules of the title compound, C19H16O3S, are composed of a biphenyl moiety substituted with a toluene-4-sulfonate group. The dihedral angle between the two coplanar biphenyl rings and the toluene ring is 52.72 (6)°.