Three in one: prototropy-free highly stable AADD-type self-complementary quadruple hydrogen-bonded molecular duplexes with a built-in fluorophore

2017 ◽  
Vol 53 (18) ◽  
pp. 2689-2692 ◽  
Author(s):  
Sanjeev Kheria ◽  
Suresh Rayavarapu ◽  
Amol S. Kotmale ◽  
Gangadhar J. Sanjayan
Keyword(s):  
Hydrogen Bonding ◽  
Self Assembling ◽  
Hydrogen Bonding Interactions ◽  
Bold Type ◽  
Hydrogen Bonded

This communication reports an effective approach for addressing the prototropy-related problems in heterocycle-based AADD-type self-assembling systems by freezing their hydrogen-bonding codes, by utilizing intramolecular bifurcated hydrogen bonding interactions.

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
P. K. Sajith
Keyword(s):  
Hydrogen Bonding ◽  
Interaction Energy ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Theoretical Study ◽  
Nitroxide Radicals ◽  
Hydrogen Bonding Interactions ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

Spectroscopic investigations of hydrogen bonding interactions in the gas phase. II. The determination of the geometry and potential constants of the hydrogen-bonded heterodimer CH 3 CN • • • HF from its microwave rotational spectrum

1980 ◽  
Vol 370 (1741) ◽  
pp. 239-255 ◽  
Keyword(s):  
Hydrogen Bonding ◽  
Gas Phase ◽  
Spectroscopic Constants ◽  
Rotational Spectrum ◽  
Hydrogen Bonding Interactions ◽  
Isotopic Species ◽  
Microwave Rotational Spectrum ◽  
Vibration Rotation ◽  
Hydrogen Bonded

The microwave rotational spectrum of the hydrogen-bonded heterodimer CH 3 CN • • • HF has been identified and shown to be characteristic of a symmetric top. A detailed analysis of several rotational transitions for a variety of isotopic species gives the spectroscopic constants summarized in the following table: Rotational constants/MHz, vibration-rotation constants/MHz and vibrational separations/cm -1 of CH 3 CN • • • HF

scholarly journals Hydrogen bonding interactions in single component molecular conductors based on metal (Ni, Au) bis(dithiolene) complexes

2020 ◽  
Vol 49 (18) ◽  
pp. 6056-6064 ◽  
Author(s):  
Hadi Hachem ◽  
Nathalie Bellec ◽  
Marc Fourmigué ◽  
Dominique Lorcy
Keyword(s):  
Hydrogen Bonding ◽  
Closed Shell ◽  
Single Component ◽  
Molecular Conductors ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bonded

Nickel (closed-shell) or gold (radical) bis(dithiolene) neutral complexes, functionalized with hydroxyethyl and thiazole moieties, afford hydrogen-bonded single component conductors.

Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine

2018 ◽  
Vol 74 (1) ◽  
pp. 21-30 ◽  
Author(s):  
Wilhelm Maximilian Hützler ◽  
Michael Bolte
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Crystal Engineering ◽  
Rational Design ◽  
Three Dimensional ◽  
Good Reliability ◽  
Hydrogen Bond Acceptor ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bonding Site ◽  
Hydrogen Bonded

Doubly and triply hydrogen-bonded supramolecular synthons are of particular interest for the rational design of crystal and cocrystal structures in crystal engineering since they show a high robustness due to their high stability and good reliability. The compound 5-methyl-2-thiouracil (2-thiothymine) contains an ADA hydrogen-bonding site (A = acceptor and D = donor) if the S atom is considered as an acceptor. We report herein the results of cocrystallization experiments with the coformers 2,4-diaminopyrimidine, 2,4-diamino-6-phenyl-1,3,5-triazine, 6-amino-3H-isocytosine and melamine, which contain complementary DAD hydrogen-bonding sites and, therefore, should be capable of forming a mixed ADA–DAD N—H...S/N—H...N/N—H...O synthon (denoted synthon 3s N·S;N·N;N·O), consisting of three different hydrogen bonds with 5-methyl-2-thiouracil. The experiments yielded one cocrystal and five solvated cocrystals, namely 5-methyl-2-thiouracil–2,4-diaminopyrimidine (1/2), C5H6N2OS·2C4H6N4, (I), 5-methyl-2-thiouracil–2,4-diaminopyrimidine–N,N-dimethylformamide (2/2/1), 2C5H6N2OS·2C4H6N4·C3H7NO, (II), 5-methyl-2-thiouracil–2,4-diamino-6-phenyl-1,3,5-triazine–N,N-dimethylformamide (2/2/1), 2C5H6N2OS·2C9H9N5·C3H7NO, (III), 5-methyl-2-thiouracil–6-amino-3H-isocytosine–N,N-dimethylformamide (2/2/1), (IV), 2C5H6N2OS·2C4H6N4O·C3H7NO, (IV), 5-methyl-2-thiouracil–6-amino-3H-isocytosine–N,N-dimethylacetamide (2/2/1), 2C5H6N2OS·2C4H6N4O·C4H9NO, (V), and 5-methyl-2-thiouracil–melamine (3/2), 3C5H6N2OS·2C3H6N6, (VI). Synthon 3s N·S;N·N;N·O was formed in three structures in which two-dimensional hydrogen-bonded networks are observed, while doubly hydrogen-bonded interactions were formed instead in the remaining three cocrystals whereby three-dimensional networks are preferred. As desired, the S atoms are involved in hydrogen-bonding interactions in all six structures, thus illustrating the ability of sulfur to act as a hydrogen-bond acceptor and, therefore, its value for application in crystal engineering.

The self-assembling zwitterionic form ofL-phenylalanine at neutral pH

2014 ◽  
Vol 70 (3) ◽  
pp. 326-331 ◽  
Author(s):  
Estelle Mossou ◽  
Susana C. M. Teixeira ◽  
Edward P. Mitchell ◽  
Sax A. Mason ◽  
Lihi Adler-Abramovich ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Hydrogen Bonding ◽  
The Self ◽  
Monoclinic Space Group ◽  
X Rays ◽  
Asymmetric Unit ◽  
Zwitterionic Form ◽  
Self Assembling ◽  
Hydrogen Bonding Interactions ◽  
Resolution Structure

The title zwitterion (2S)-2-azaniumyl-1-hydroxy-3-phenylpropan-1-olate, C9H11NO2, also known as L-phenylalanine, was characterized using synchrotron X-rays. It crystallized in the monoclinic space groupP21with four molecules in the asymmetric unit. The 0.62 Å resolution structure is assumed to be closely related to the fibrillar form of phenylalanine, as observed by electron microscopy and electron diffraction. The structure exists in a zwitterionic form in which π–π stacking and hydrogen-bonding interactions are believed to form the basis of the self-assembling properties.

Hydrogen-bonding interactions and magnetic relaxation dynamics in tetracoordinated cobalt(ii) single-ion magnets

2019 ◽  
Vol 48 (2) ◽  
pp. 395-399 ◽  
Author(s):  
Ryoji Mitsuhashi ◽  
Satoshi Hosoya ◽  
Takayoshi Suzuki ◽  
Yukinari Sunatsuki ◽  
Hiroshi Sakiyama ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Magnetic Relaxation ◽  
Zero Field ◽  
Relaxation Dynamics ◽  
Hydrogen Bonding Interactions ◽  
Slow Magnetic Relaxation ◽  
Hydrogen Bonded

Zero field slow magnetic relaxation was observed in two cobalt(ii) complexes with 1-D chain hydrogen-bonded structures.

Erratum

1986 ◽  
Vol 404 (1826) ◽  
pp. 147-147 ◽  
Keyword(s):  
Hydrogen Bonding ◽  
Gas Phase ◽  
Ground State ◽  
Hyperfine Coupling ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Spectroscopic Investigations ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bonded

Proc. R. Soc. Lond. A 401, 327-347 (1985) Spectroscopic investigations of hydrogen bonding interactions in the gas phase. X. Properties of the hydrogen-bonded heterodimer HCN⋯HF determined from hyperfine coupling and centrifugal distortion effects in its ground-state rotational spectrum By A. C. Legon, D. J. Millen and L. C. Willoughby On p. 327, at the end of the abstract, for 0.14 Å read 0.014 Å. On p. 343, line 7, for 0.025 Å read 0.014 Å. On p. 344, line 27, for 25.4° read 21.7°; line 33, for 6.6° read 2.9°. On p. 347, line 12, for 0.025 Å read 0.014 Å.

scholarly journals Crystal structure of NH4[La(SO4)2(H2O)]

2015 ◽  
Vol 71 (6) ◽  
pp. 663-666 ◽  
Author(s):  
Meriem Benslimane ◽  
Yasmine Kheira Redjel ◽  
Hocine Merazig ◽  
Jean-Claude Daran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Three Dimensional ◽  
Sulfate Anion ◽  
Hydrogen Bonding Interactions ◽  
Trigonal Prisms ◽  
Hydrogen Bonded

The principal building units in the crystal structure of ammonium aquabis(sulfato)lanthanate(III) are slightly distorted SO4tetrahedra, LaO9polyhedra in the form of distorted tricapped trigonal prisms, and NH4+ions. The La3+cation is coordinated by eight O atoms from six different sulfate tetrahedra, two of which are bidentate coordinating and four monodentate, as well as one O atom from a water molecule; each sulfate anion bridges three La3+cations. These bridging modes result in the formation of a three-dimensional anionic [La(SO4)2(H2O)]−framework that is stabilized by O—H...O hydrogen-bonding interactions. The disordered ammonium cations are situated in the cavities of this framework and are hydrogen-bonded to six surrounding O atoms.

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