Microwave spectroscopy of 2-(trifluoromethyl)pyridine⋯water complex: Molecular structure and hydrogen bond

2018 ◽  
Vol 148 (4) ◽  
pp. 044306 ◽  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Microwave Spectroscopy ◽  
Water Complex

Synthesis and Molecular Structure of Disulfane

1991 ◽  
Vol 46 (10) ◽  
pp. 1338-1342 ◽  
Author(s):  
Josef Hahn ◽  
Petra Schmidt ◽  
Klaus Reinartz ◽  
Jörg Behrend ◽  
Gisbert Winnewisser ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Dihedral Angle ◽  
Trichloroacetic Acid ◽  
Microwave Spectroscopy ◽  
Stabilizing Agent ◽  
Rotary Evaporator ◽  
First Time

The synthesis and structure of disulfane are presented. Pure disulfane, H2S2, has been obtained by the cracking distillation of raw sulfane mixtures in a rotary evaporator, thus substituting the classical cracking column for the rotating flask of the evaporator. Pure, gaseous dideuterodisulfane could be generated by the solvolysis of bis(methyldiphenylsilyl)disulfane, (MePh2Si)2S2, with D2O in the presence of trichloroacetic acid as stabilizing agent. Partially deuterated disulfane has been prepared by H,D exchange between pure H2S2 and DCl. For the first time the molecular structure of HSSH has been determined based solely on microwave spectroscopy with the following parameters: r(SS) = 2.0564 A, r(SH) = 1.3421 A, dihedral angle γ = 90.34°, and <(SSH) = 97.88°.

Molecular structure and OH⋯O hydrogen bond in 1-aryl-1,3-diketone malonates

2013 ◽  
Vol 1034 ◽  
pp. 43-50 ◽  
Author(s):  
Federico Jiménez-Cruz ◽  
Lubanski Fragoza Mar ◽  
Jose Luis García-Gutierrez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond

Structure of 4,4-Bisphenylsulfonyl-N,N-dimethylbutylamine: Interplay of Intramolecular C–H···N, C–H···O=S, and ?···? Interactions

2009 ◽  
Vol 62 (9) ◽  
pp. 1062 ◽  
Author(s):  
Jiong Ran ◽  
Ming Wah Wong
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Significant Interaction ◽  
Chemical Shifts ◽  
Intramolecular Interactions ◽  
Methyl Derivative ◽  
Polar Medium ◽  
Conformational Properties ◽  
Density Analysis ◽  
Experimental Findings

Conformations of 4,4-bisphenylsulfonyl-N,N-dimethylbutylamine (BSDBA) were examined by ab initio calculations. Intramolecular C–H···N, C–H···O, and π···π interactions are found to play an important role in governing the conformational properties. This finding is supported by charge density analysis based on the theory of atoms in molecules. The calculated molecular structure and 1H chemical shifts of the methyl derivative (BSTBA) are in excellent agreement with experimental findings. The intramolecular C–H···N hydrogen bond in BSDBA is estimated to have a significant interaction energy of 25 kJ mol–1. The sulfonyl oxygens in BSDBA interact readily with neighbouring methylene, methyl and phenyl hydrogens via C–H···O=S hydrogen bonds. In agreement with experiment, solvent effect calculations indicate that these weaker intramolecular interactions prevail in an aprotic polar medium.

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 (Z)-3-(1-Chloroprop-1-enyl)-2-methyl-1-phenylsulfonyl-1H-indole

2013 ◽  
Vol 69 (12) ◽  
pp. o1781-o1781 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Indole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
A Chain

In the title compound, C18H16ClNO2S, the indole ring system forms a dihedral angle of 75.07 (8)° with the phenyl ring. The molecular structure is stabilized by a weak intramolecular C—H...O hydrogen bond. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming a chain along [10-1]. C—H...π interactions are also observed, leading to a three-dimensional network.

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