Excess volumes of an alcohol + 1,2-dichloroethane

1981 ◽  
Vol 59 (14) ◽  
pp. 2210-2211 ◽  
Author(s):  
Nettem V. Choudary ◽  
Puligundla R. Naidu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Binary Mixtures ◽  
Excess Volumes ◽  
Hydrogen Bond Interaction ◽  
Bond Interaction ◽  
Break Up ◽  
The Difference

Excess volumes for binary mixtures of 1,2-dichloroethane with n-propanol, n-butanol, n-pentanol, n-hexanol, n-heptanol, and n-octanol have been determined at 303.15 K. VE is positive over the whole range of composition in all the mixtures. However, it is noticed that the positive values of VE of mixtures of 1,2-dichloroethane with n-hexanol, n-heptanol, and n-octanol differ from those for the mixtures of 1,2-dichloroethane with corresponding alkanes. The difference has been explained in terms of the break up of hydrogen bonds, interstitial accommodation of 1,2-dichloroethane in alcohol aggregates, and possible hydrogen bond interaction of the type Cl … H—O between unlike molecules.

scholarly journals Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea

2015 ◽  
Vol 71 (12) ◽  
pp. o933-o934
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Alaa A. Hassan ◽  
Ahmed T. Abdel-Aziz ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Hydrogen Bond Interaction ◽  
Compound C ◽  
Bond Interaction ◽  
Ring Motif

The conformation of the title compound, C14H19N3S, is partially determined by an intramolecular N—H...N hydrogen-bond interaction, although the N—H...N angle of 108° is quite small. The cyclohexylidene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (8)°. 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 reinforced by pairs of C—H...S hydrogen bonds, and are linked by further weak C—H...S hydrogen bonds, forming chains propagating along [100].

Thermodynamics of binary liquid mixtures with hydrogen bond interaction

1966 ◽  
Vol 19 (7) ◽  
pp. 1129 ◽  
Author(s):  
PR Naidu ◽  
VR Krishnan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Liquid Mixtures ◽  
Binary Liquid Mixtures ◽  
Excess Volumes ◽  
Hydrogen Bridge ◽  
Substituted Phenols ◽  
Hydrogen Bond Interaction ◽  
Binary Liquid ◽  
Bond Interaction

Excess volumes and adiabatic excess compressibilities of the systems dioxan- phenol, dioxan-o-chlorophenol, dioxan-guaiacol, dioxan-o-cresol, dioxan-m-cresol, and dioxan-p-cresol are presented at 35�. These data have been used to postulate hydrogen bonding between the components and the influence of the substituent on the strength of the hydrogen bridge between dioxan and substituted phenols is discussed.

scholarly journals Atomic-level insights into the activation of nitrogen via hydrogen-bond interaction toward nitrogen photofixation

Chem ◽  
2021 ◽  
Author(s):  
Yue Xin ◽  
Sanmei Wang ◽  
Haibo Yuan ◽  
Tingting Hou ◽  
Wenkun Zhu ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Atomic Level ◽  
Hydrogen Bond Interaction ◽  
Bond Interaction

Fine-tuning of microsolvation and hydrogen bond interaction regulates substrate channelling in the course of flavonoid biosynthesis

2016 ◽  
Vol 18 (15) ◽  
pp. 10337-10345 ◽  
Author(s):  
Julien Diharce ◽  
Jérôme Golebiowski ◽  
Sébastien Fiorucci ◽  
Serge Antonczak
Keyword(s):  
Hydrogen Bond ◽  
Natural Compounds ◽  
Flavonoid Biosynthesis ◽  
Fine Tuning ◽  
Efficient Production ◽  
Substrate Channeling ◽  
Metabolite Formation ◽  
Hydrogen Bond Interaction ◽  
Bond Interaction ◽  
Substrate Channelling

In the course of metabolite formation, some multienzymatic edifices, the so-called metabolon, are formed and lead through substrate channeling to a more efficient production of the natural compounds.

scholarly journals Antifungal Activity of Phenyl Derivative of Pyranocoumarin fromPsoralea corylifoliaL. Seeds by Inhibition of Acetylation Activity of Trichothecene 3-O-Acetyltransferase (Tri101)

2012 ◽  
Vol 2012 ◽  
pp. 1-8 ◽  
Author(s):  
Sangeetha Srinivasan ◽  
D. V. L. Sarada
Keyword(s):  
Hydrogen Bond ◽  
Antifungal Activity ◽  
Defense Mechanism ◽  
Petroleum Ether Extract ◽  
Ligand Docking ◽  
Molecular Formula ◽  
Trichothecene Mycotoxin ◽  
Hydrogen Bond Interaction ◽  
Phenyl Derivative ◽  
Bond Interaction

Antifungal activity of petroleum ether extract ofPsoralea corylifoliaL. seed, tested againstFusariumsp. namely,Fusarium oxysporum, Fusarium moniliforme,andFusarium graminearum, was evaluated by agar well diffusion assay. The chromatographic fractionation of the extract yielded a new phenyl derivative of pyranocoumarin (PDP). The structure of the PDP was confirmed using spectroscopic characterization (GC-MS, IR, and NMR), and a molecular mass ofm/z414 [M-2H]+with molecular formula C27H28O4was obtained. The PDP had a potent antifungal activity with a minimum inhibitory concentration of 1 mg/mL againstFusariumsp. Molecular docking using Grid-Based Ligand Docking with Energetics (GLIDE, Schrodinger) was carried out with the Tri101, trichothecene 3-O-acetyltransferase, as target protein to propose a mechanism for the antifungal activity. The ligand PDP showed bifurcated hydrogen bond interaction with active site residues at TYR 413 and a single hydrogen bond interaction at ARG 402 with a docking score −7.19 and glide energy of −45.78 kcal/mol. This indicated a strong binding of the ligand with the trichothecene 3-O-acetyltransferase, preventing as a result the acetylation of the trichothecene mycotoxin and destruction of the “self-defense mechanism” of theFusariumsp.

scholarly journals Laminated Free Standing PEDOT:PSS Electrode for Solution Processed Integrated Photocapacitors via Hydrogen-Bond Interaction

2017 ◽  
Vol 4 (23) ◽  
pp. 1700704 ◽  
Author(s):  
Yingzhi Jin ◽  
Zaifang Li ◽  
Leiqiang Qin ◽  
Xianjie Liu ◽  
Lin Mao ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Free Standing ◽  
Hydrogen Bond Interaction ◽  
Solution Processed ◽  
Bond Interaction
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