Nonadditivity of methyl group in single-electron hydrogen bond of methyl radical-water complex

2009 ◽  
Vol 109 (3) ◽  
pp. 605-611 ◽  
Author(s):  
Qingzhong Li ◽  
Hongjie Zhu ◽  
Xiulin An ◽  
Baoan Gong ◽  
Jianbo Cheng
Keyword(s):  
Hydrogen Bond ◽  
Single Electron ◽  
Methyl Radical ◽  
Methyl Group ◽  
Water Complex

Competing Intramolecular Hydrogen Bond Strengths and Intermolecular Interactions in the 4-Aminobutanol–Water Complex

2018 ◽  
Vol 122 (43) ◽  
pp. 8505-8510 ◽  
Author(s):  
Jenna A. Hohl ◽  
Michael W. Harris ◽  
Nina Strasser ◽  
Anne-Marie Kelterer ◽  
Richard J. Lavrich
Keyword(s):  
Hydrogen Bond ◽  
Intermolecular Interactions ◽  
Intramolecular Hydrogen Bond ◽  
Water Complex ◽  
Bond Strengths ◽  
Intramolecular Hydrogen

scholarly journals (E)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Md. Azharul Arafath ◽  
Farook Adam ◽  
Mohd. R. Razali
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Zigzag Chain ◽  
Aromatic Rings ◽  
Methyl Group ◽  
Compound C

In the title compound, C14H14N2O, the dihedral angle between the aromatic rings is 5.54 (9)°. The conformation is reinforced by an intramolecular O—H...N hydrogen bond, which closes anS(6) ring. The pyridine N atom and methyl group lie to opposite sides of the molecule. In the crystal, the molecules are linked into a zigzag chain propagating in [0-11] by weak C—H...O hydrogen bonds.

Reactions of free radicals with aromatic compounds in the gaseous phase. I. Kinetics of the reaction of methyl radicals with toluene

1964 ◽  
Vol 17 (12) ◽  
pp. 1329 ◽  
Author(s):  
MFR Mulcahy ◽  
DJ Williams ◽  
JR Wilmshurst
Keyword(s):  
Flow System ◽  
Methyl Radicals ◽  
Methyl Radical ◽  
Hydrogen Atoms ◽  
Methyl Group ◽  
Benzyl Radical ◽  
Toluene Molecule ◽  
Benzyl Radicals ◽  
Butyl Peroxide ◽  
Kinetics Of

The kinetics of abstraction of hydrogen atoms from the methyl group of the toluene molecule by methyl radicals at 430-540�K have been determined. The methyl radicals were produced by pyrolysis of di-t-butyl peroxide in a stirred-flow system. The kinetics ,agree substantially with those obtained by previous authors using photolytic methods for generating the methyl radicals. At toluene and methyl-radical concentrations of about 5 x 10-7 and 10-11 mole cm-3 respectively the benzyl radicals resulting from the abstraction disappear almost entirely by combination with methyl radicals at the methylenic position. In this respect the benzyl radical behaves differently from the iso-electronic phenoxy radical, which previous work has shown to combine with a methyl radical mainly at ring positions. The investigation illustrates the application of stirred-flow technique to the study of the kinetics of free-radical reactions.

Hydrogen-bond swapping in the benzene-water complex: a model study of the interaction potential

1992 ◽  
Vol 96 (18) ◽  
pp. 7252-7257 ◽  
Author(s):  
Joseph D. Augspurger ◽  
Clifford E. Dykstra ◽  
Timothy S. Zwier
Keyword(s):  
Hydrogen Bond ◽  
Interaction Potential ◽  
Water Complex ◽  
Model Study

scholarly journals (E)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol

2012 ◽  
Vol 68 (6) ◽  
pp. o1782-o1782
Author(s):  
P. Balamurugan ◽  
K. Kanmani Raja ◽  
S. Kutti Rani ◽  
G. Chakkaravarthi ◽  
G. Rajagopal
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Methyl Group ◽  
Compound C ◽  
Benzene Rings ◽  
Graph Set

In the title compound, C19H22BrNO, the dihedral angle between the benzene rings is 76.17 (14)° and an intramolecular O—H...N hydrogen bond with an S(6) graph-set motif is present. One methyl group is disordered over two sets of sites with site occupancies of 0.66 (3) and 0.34 (3). A weak intermolecular C—H...π interaction is observed in the crystal structure.

Non-additivity of Methyl Group in the Single-electron Lithium Bond of H3C LiH Complex

2009 ◽  
Vol 22 (3) ◽  
pp. 303-309 ◽  
Author(s):  
Zhi-feng Li ◽  
Xiao-ning Shi ◽  
Yan-zhi Liu ◽  
Hui-an Tang ◽  
Jun-yan Zhang
Keyword(s):  
Single Electron ◽  
Methyl Group ◽  
Lithium Bond

scholarly journals Relative substituent orientation in the structure ofcis-3-chloro-1,3-dimethyl-N-(4-nitrophenyl)-2-oxocyclopentane-1-carboxamide

2014 ◽  
Vol 70 (9) ◽  
pp. 121-123
Author(s):  
Matthias Zeller ◽  
Jonas Warneke ◽  
Vladimir Azov
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Membered Ring ◽  
Amide Group ◽  
Aromatic Rings ◽  
Methyl Group ◽  
Compound C ◽  
The Mean ◽  
Graph Set ◽  
Intramolecular Hydrogen

The structure of the title compound, C14H15ClN2O4, prepared by reaction of a methacryloyl dimer with nitroaniline, was determined to establish the relative substituent orientation on the cyclopentanone ring. In agreement with an earlier proposed reaction mechanism, the amide group and the methyl group adjacent to the chloro substituent adopt equatorial positions and relativecisorientation, whereas the Cl substituent itself and the methyl group adjacent to the amide have axial orientations relative to the mean plane of the five-membered ring. The conformation of the molecule is stabilized by one classical N—H...O (2.18 Å) and one non-classical C—H...O (2.23 Å) hydrogen bond, each possessing anS(6) graph-set motif. The crystal packing is defined by several non-classical intramolecular hydrogen bonds, as well as by partial stacking of the aromatic rings.

scholarly journals (E)-4-Methyl-2-(N-phenylcarboximidoyl)phenol

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
G. Swetha ◽  
R. Ida Malarselvi ◽  
C. Ramachandra Raja ◽  
A. Thiruvalluvar ◽  
J. Priscilla
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Methyl Group ◽  
Compound C ◽  
Imine Bond

The title compound, C14H13NO, is not planar with the dihedral angle between the planes of the two aryl rings being 6.22 (11)°. The configuration about the imine bond isE. An intramolecular O—H...N hydrogen bond generates anS(6) loop. In the crystal, molecules assemble into columns parallel to theaaxis. The methyl group is disordered over two positions rotated from each other by 60°.

scholarly journals N-[2-(Methylsulfanyl)phenyl]-2-sulfanylbenzamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2400-o2400
Author(s):  
Chang-Chih Hsieh ◽  
Hon Man Lee ◽  
Yih-Chern Horng
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Aromatic Rings ◽  
Intermolecular Hydrogen Bonds ◽  
Methyl Group ◽  
Interplanar Angle ◽  
Compound C ◽  
Intramolecular Hydrogen

In the title compound, C14H13NOS2, the S atom with the methyl group is involved in an intramolecular hydrogen bond with the amido H atom. In the crystal, the sulfanyl H atoms form intermolecular hydrogen bonds with the O atoms, connecting the molecules into zigzag chains along thecaxis. The two aromatic rings exhibit a small interplanar angle of 16.03 (9)°.

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