A statistical analysis of halide · · · H–A (A = OR, NR2, N+R3) hydrogen bonding interactions in the solid state

1997 ◽  
pp. 1999-2001 ◽  
Author(s):  
Mark Mascal
Keyword(s):  
Hydrogen Bonding ◽  
Statistical Analysis ◽  
Solid State ◽  
Hydrogen Bonding Interactions

The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal–carbon and metal–metal interactions

CrystEngComm ◽  
2020 ◽  
Vol 22 (5) ◽  
pp. 888-894 ◽  
Author(s):  
Ashkan Kianimehr ◽  
Kamran Akhbari ◽  
Jonathan White ◽  
Anukorn Phuruangrat
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Coordination Polymer ◽  
Coordination Polymers ◽  
Halogen Bond ◽  
Metal Interactions ◽  
Polymer Nanostructures ◽  
Hydrogen Bonding Interactions ◽  
Metal Metal

Two new Na and K coordination polymers with halogen bond, metallophilic and hydrogen bonding interactions were synthesized. These two compounds were synthesized sonochemically and solid-state conversions of them to each other were investigated.

scholarly journals Intermolecular Non-Covalent Carbon-Bonding Interactions with Methyl Groups: A CSD, PDB and DFT Study

Molecules ◽  
2019 ◽  
Vol 24 (18) ◽  
pp. 3370 ◽  
Author(s):  
Tiddo J. Mooibroek
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Dft Calculations ◽  
Interaction Energy ◽  
Weak Interaction ◽  
Systematic Evaluation ◽  
Methyl Groups ◽  
Interaction Energies ◽  
Hydrogen Bonding Interactions ◽  
Carbon Bonding

A systematic evaluation of the CSD and the PDB in conjunction with DFT calculations reveal that non-covalent Carbon-bonding interactions with X–CH3 can be weakly directional in the solid state (P ≤ 1.5) when X = N or O. This is comparable to very weak CH hydrogen bonding interactions and is in line with the weak interaction energies calculated (≤ –1.5 kcal·mol−1) of typical charge neutral adducts such as [Me3N-CH3···OH2] (2a). The interaction energy is enhanced to ≤–5 kcal·mol−1 when X is more electron withdrawing such as in [O2N-CH3··O=Cdme] (20b) and to ≤18 kcal·mol−1 in cationic species like [Me3O+-CH3···OH2]+ (8a).

scholarly journals Hydrogen-Bonding Interactions in T-2 Toxin Studied Using Solution and Solid-State NMR

Toxins ◽  
2011 ◽  
Vol 3 (10) ◽  
pp. 1310-1331 ◽  
Author(s):  
Praveen Chaudhary ◽  
Roxanne A. Shank ◽  
Tony Montina ◽  
James T. Goettel ◽  
Nora A. Foroud ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Solid State Nmr ◽  
Hydrogen Bonding Interactions

Solid-State NMR Spectroscopic Studies of Propylphosphonic Acid Functionalized SBA-15 Mesoporous Silica: Characterization of Hydrogen-Bonding Interactions

2013 ◽  
Vol 2013 (13) ◽  
pp. 2350-2361 ◽  
Author(s):  
Nicolas Bibent ◽  
Thibault Charpentier ◽  
Sabine Devautour-Vinot ◽  
Ahmad Mehdi ◽  
Philippe Gaveau ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Mesoporous Silica ◽  
Solid State Nmr ◽  
Spectroscopic Studies ◽  
Hydrogen Bonding Interactions

Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence

CrystEngComm ◽  
2018 ◽  
Vol 20 (33) ◽  
pp. 4875-4887 ◽  
Author(s):  
B. M. P. Beebeejaun-Boodoo ◽  
R. Erasmus ◽  
M. Rademeyer
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Hydrogen Bonding Interactions ◽  
Solid State Fluorescence

The fluorescence behaviour and non-covalent aromatic- and hydrogen bonding interactions in a family of N-(4-picolinium)-1,8-naphthalimide tetrahalometallates are reported.

scholarly journals Redetermination of ammonium metavanadate

IUCrData ◽  
2018 ◽  
Vol 3 (8) ◽  
Author(s):  
Aarón Pérez-Benítez ◽  
Sylvain Bernès
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Single Crystal ◽  
Structural Data ◽  
Ammonium Cation ◽  
Ammonium Metavanadate ◽  
Starting Material ◽  
X Ray ◽  
Hydrogen Bonding Interactions

The crystal structure of ammonium metavanadate, NH4VO3, a compound widely used as a starting material for the synthesis of vanadium and polyoxidovanadate compounds, had been determined twice using single-crystal X-ray data [Syneček & Hanic (1954). Czech. J. Phys. 4, 120–129 (Weissenberg data); Hawthorne & Calvo (1977). J. Solid State Chem. 22, 157–170 (four-circle diffractometer data)]. Its structure is now redetermined at higher resolution using Ag Kα radiation, and the result is compared with the former refinements. Structural data for the polymeric [VO3]∞ chain remain unchanged, while more accurate parameters are obtained for the ammonium cation, improving the description of hydrogen-bonding interactions in the crystal structure.

scholarly journals The role of π–π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds

2019 ◽  
Vol 75 (2) ◽  
pp. 178-188 ◽  
Author(s):  
Taraneh Hajiashrafi ◽  
Roghayeh Zekriazadeh ◽  
Keith J. Flanagan ◽  
Farnoush Kia ◽  
Antonio Bauzá ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Coordination Compounds ◽  
Spectroscopic Techniques ◽  
Stacking Interactions ◽  
X Ray Crystallography ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Research Domain

The supramolecular chemistry of coordination compounds has become an important research domain of modern inorganic chemistry. Herein, six isostructural group IIB coordination compounds containing a 2-{[(2-methoxyphenyl)imino]methyl}phenol ligand, namely dichloridobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)zinc(II), [ZnCl2(C28H26N2O4)], 1, diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)zinc(II), [ZnI2(C28H26N2O4)], 2, dibromidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)cadmium(II), [CdBr2(C28H26N2O4)], 3, diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)cadmium(II), [CdI2(C28H26N2O4)], 4, dichloridobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)mercury(II), [HgCl2(C28H26N2O4)], 5, and diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)mercury(II), [HgI2(C28H26N2O4)], 6, were synthesized and characterized by X-ray crystallography and spectroscopic techniques. All six compounds exhibit an infinite one-dimensional ladder in the solid state governed by the formation of hydrogen-bonding and π–π stacking interactions. The crystal structures of these compounds were studied using geometrical and Hirshfeld surface analyses. They have also been studied using M06-2X/def2-TZVP calculations and Bader's theory of `atoms in molecules'. The energies associated with the interactions, including the contribution of the different forces, have been evaluated. In general, the π–π stacking interactions are stronger than those reported for conventional π–π complexes, which is attributed to the influence of the metal coordination, which is stronger for Zn than either Cd or Hg. The results reported herein might be useful for understanding the solid-state architecture of metal-containing materials that contain M II X 2 subunits and aromatic organic ligands.

scholarly journals {N 1-[2-(Butylselanyl)benzyl]-N 2,N 2-dimethylethane-1,2-diamine}dichloridomercury(II)

2018 ◽  
Vol 74 (8) ◽  
pp. 1151-1154
Author(s):  
Pushpendra Singh ◽  
Harkesh B. Singh ◽  
Ray J. Butcher
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Self Assembly ◽  
Title Compound ◽  
Supramolecular Assembly ◽  
Molecular Geometry ◽  
The Self ◽  
Intermolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interactions ◽  
Donor Acceptor

In the title compound, [HgCl2(C16H28N2Se)], the primary geometry around the Se and Hg atoms is distorted trigonal–pyramidal and distorted square-pyramidal, respectively. The distortion of the molecular geometry in the complex is caused by the steric demands of the ligands attached to the Se atom. The Hg atom is coordinated through two chloride anions, an N atom and an Se atom, making up an unusual HgNSeCl2 coordination sphere with an additional long Hg...N interaction. Intermolecular C—H...Cl interactions are the only identified intermolecular hydrogen-bonding interactions that seem to be responsible for the self assembly. These relatively weak C—H...Cl hydrogen bonds possess the required linearity and donor–acceptor distances. They act as molecular associative forces that result in a supramolecular assembly along the b-axis direction in the solid state of the title compound.

The design of artificial receptors for complexation and controlled aggregation

1993 ◽  
Vol 345 (1674) ◽  
pp. 57-66 ◽  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Complex Formation ◽  
Hydrogen Bonds ◽  
Synthetic Receptors ◽  
Polar Solvents ◽  
Artificial Receptors ◽  
Hydrogen Bonding Interactions ◽  
Number Of Factors ◽  
Network Of Hydrogen Bonds

Simple synthetic receptors have been developed that function via directed hydrogen bonding interactions in highly competitive solvents. Strong binding of this type in polar solvents may be due to a number of factors including favourable secondary hydrogen bonding interactions between the carboxylate and urea, the use of charged H-bond acceptors, an inefficient solvation of the closely spaced H-bond donor sites in the urea, and an entropically favourable release of solvent and/or counterion molecules on complex formation. We also demonstrate that these types of interactions can be used to induce, both in solution and the solid state, discrete 2 + 2 aggregates stabilized by a network of hydrogen bonds.

Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)

2012 ◽  
Vol 68 (10) ◽  
pp. o383-o386 ◽  
Author(s):  
Alvaro S. de Sousa ◽  
Denzel Sannasy ◽  
Manuel A. Fernandes ◽  
Helder M. Marques
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Self Assembly ◽  
Amino Alcohol ◽  
Inner Core ◽  
Molecular Conformation ◽  
Tubular Structure ◽  
Macrocyclic Ring ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title macrocyclic amino alcohol compound, C14H30N4O, is investigated as a solid-state synthon for the design of a self-assembled tubular structure. It crystallizes in a helical column constructed by stereospecific O—H...N and N—H...N interactions. The hydrogen-bonding interactions, dependent upon macrocyclic ring helicity and molecular conformation, linkR,RandS,Senantiomers in a head-to-tail fashion, forming a continuous hydrophilic inner core.

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