Molecular structure of dipivaloylmethane and the intramolecular hydrogen bond problem

2000 ◽  
Vol 41 (1) ◽  
pp. 48-54 ◽  
Author(s):  
N. I. Giricheva ◽  
G. V. Girichev ◽  
S. B. Lapshina ◽  
N. I. Kuzmina
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Intramolecular Hydrogen

Electronic absorption spectra of nitroanilines

1979 ◽  
Vol 44 (5) ◽  
pp. 1613-1618 ◽  
Author(s):  
Viktor Řehák ◽  
Vladimír Kadeřábek
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Absorption Spectra ◽  
Intramolecular Hydrogen Bond ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Electronic System ◽  
Intramolecular Hydrogen ◽  
Absorption Transitions

Electronic absorption spectra of N-alkyl and N-arylsubstituted 2,4-dinitro- and 2,6-dinitroanilines are discussed in the terms of energy and intensity of the energetically lowest absorption transitions and molecular structure (intramolecular hydrogen bond, sterical effects, hyperconjugation and increase of the π-electronic system of the molecule.

Correlating experimental electrochemistry and theoretical calculations in 2′-hydroxy chalcones: the role of the intramolecular hydrogen bond

RSC Advances ◽  
2015 ◽  
Vol 5 (63) ◽  
pp. 50929-50937 ◽  
Author(s):  
Maximiliano Martínez-Cifuentes ◽  
Ricardo Salazar ◽  
Carlos A. Escobar ◽  
Boris E. Weiss-López ◽  
Leonardo S. Santos ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Theoretical Calculations ◽  
Electrochemical Behaviour ◽  
Redox Properties ◽  
Methoxy Substituent ◽  
Intramolecular Hydrogen

The molecular structure and electrochemical behaviour of a series of 2′-hydroxychalcones were studied. Results show the importance of the intramolecular hydrogen bond and the methoxy substituent pattern on the redox properties of these compounds.

N-Phenyl-2-(phenyliminomethyl)pyrrole-1-carboxamide

2007 ◽  
Vol 63 (11) ◽  
pp. o4265-o4265
Author(s):  
Wolfgang Imhof
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Phenyl Isocyanate ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C18H15N3O, was prepared from phenyl(1H-pyrrol-2-ylmethylene)amine and phenyl isocyanate in the presence of catalytic amounts of [Pd(PPh3)4]. The conformation of the molecular structure is determined by an intramolecular hydrogen bond between the amide NH function and the imine N atom. The molecule is essentially planar. Only the peripheral phenyl substitutents are bent out of the plane.

scholarly journals Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde

2014 ◽  
Vol 70 (12) ◽  
pp. 562-565
Author(s):  
Alexandra S. Fonseca ◽  
Adailton J. Bortoluzzi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Intramolecular Hydrogen Bond ◽  
Intermolecular Hydrogen Bond ◽  
Phenol Group ◽  
The Third ◽  
Graph Set ◽  
Title Molecule ◽  
Intramolecular Hydrogen

The non-symmetric title molecule, C32H34N2O5, is based on a tetrasubstituted ethylenediamine backbone. The molecular structure consists of three hydroxybenzyl groups and one 2-hydroxy-5-methylbenzaldehyde group bonded to the N atoms of the diamine unit. The ethylenediamine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hydroxy-5-methylbenzaldehyde group, an intramolecularS(6) O—H...O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intramolecularS(6) O—H...N hydrogen bond. The third phenol group is involved in a bifurcated intramolecular hydrogen bond with graph-set notationS(6) for O—H...N and O—H...O intramolecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intramolecular hydrogen bond and also acts as donor in an intermolecular hydrogen bond, which connects inversion-related molecules into dimers withR44(8) ring motifs.

cis-Aquabis(2,2′-bipyridine-N,N′)[dichromato(2–)-O1]nickel(II)

2000 ◽  
Vol 57 (1) ◽  
pp. m43-m45
Author(s):  
Nélida Fernández-González ◽  
Cristina González-Silgo ◽  
Javier González-Platas ◽  
Pedro Gili ◽  
Pedro Martín-Zarza
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Octahedral Coordination ◽  
Intermolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen

The molecular structure of the title compound, [Ni(C10H8N2)2(H2O){Cr2O7}], contains an NiIIatom with a distortedcis-octahedral coordination formed by two chelating bipyridine (bipy) ligands [mean Ni—Nbipy = 2.068 (3) Å], one water molecule [Ni—O = 2.086 (3) Å] and an O atom of the dichromate anion [Ni—O = 2.083 (2) Å]. One of the water H atoms is involved in the intramolecular hydrogen bond with the terminal O atom of the dichromate ligand [O...O 2.743 (5) Å], whereas its second H atom participates in the intermolecular hydrogen bonding [O...O 2.688 (4) Å]; the latter is responsible for the formation of the infinite chains stretching along the polarcaxis of the crystal.

Synthesis and Crystal Structure of Phosphorus Vandium Heteropolyacid Sodium

2012 ◽  
Vol 569 ◽  
pp. 103-106
Author(s):  
Hai Xing Liu ◽  
Jing Zhong Xiao ◽  
Jing Wang ◽  
Fang Fang Jian ◽  
Hui Juan Yue ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrothermal Method ◽  
Intramolecular Hydrogen Bond ◽  
Hydrogen Bond Interaction ◽  
Synthesis And Crystal Structure ◽  
Bond Interaction ◽  
Intramolecular Hydrogen

phosphorus vandium heteropolyacid sodium, H78N12NaO116P2V30, is prepared by the hydrothermal method. Cubic, Fm-3m. a =b = c = 20.022(2) Å α=β=γ= 90. V=10680.0(17) Å3. Z=4. R1 =0.0388, wR2 =0.1200. T=298(2) K. The V atoms are linked with O atom bridge. The molecular structure is stabilized by the O-H...O and O-H...N intermolecular and intramolecular hydrogen-bond interaction.

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