Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates

CrystEngComm ◽  
2018 ◽  
Vol 20 (35) ◽  
pp. 5209-5219 ◽  
Author(s):  
Marzieh Emami ◽  
Katarzyna Anna Ślepokura ◽  
Monika Trzebiatowska ◽  
Nader Noshiranzadeh ◽  
Vasyl Kinzhybalo
Keyword(s):  
Hydrogen Bonding ◽  
Ir Spectroscopy ◽  
Inorganic Salts ◽  
X Ray ◽  
X Ray Crystallography ◽  
Tetraalkylammonium Cations

Organic–inorganic salts of hypodiphosphoric acid with tetraalkylammonium cations have been synthesized and characterized by X-ray crystallography and IR spectroscopy.

A Two-fold Interpenetrated Diamondlike 3D Metal-Organic Cd(II) Complex Based on 5-Iodo-isophthalic Acid and 1,3-Bi(4-pyridyl)propane

2012 ◽  
Vol 67 (5) ◽  
pp. 499-503
Author(s):  
Ming-Ming Dong ◽  
Deng-Yong Zhu ◽  
Yan Zhao ◽  
Xiao-Yuan Li ◽  
Shuang-Quan Zang
Keyword(s):  
Hydrogen Bonding ◽  
Ir Spectroscopy ◽  
Elemental Analysis ◽  
Metal Organic Framework ◽  
Isophthalic Acid ◽  
X Ray ◽  
Nitrogen Ligand ◽  
X Ray Crystallography ◽  
Metal Organic ◽  
Organic Framework

A metal-organic framework based on 5-iodo-isophthalic acid (5-iipaH2) and the ancillary nitrogen ligand 1,3-bi(4- pyridyl)propane (bpp), namely [Cd(5-iipa)(bpp)(H2O)]n (1), has been synthesized, and characterized by IR spectroscopy, elemental analysis, thermogravimetry, and X-ray crystallography. Complex 1shows a two-fold interpenetrating 3D diamond-like architecture that is stabilized by hydrogen bonding, μ...μ, I...μ, and C-H...p interactions.

scholarly journals Exploring the Structural Chemistry of Pyrophosphoramides: N,N′,N″,N‴-Tetraisopropylpyrophosphoramide

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 149-163
Author(s):  
Duncan Micallef ◽  
Liana Vella-Zarb ◽  
Ulrich Baisch
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Room Temperature ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray

N,N′,N″,N‴-Tetraisopropylpyrophosphoramide 1 is a pyrophosphoramide with documented butyrylcholinesterase inhibition, a property shared with the more widely studied octamethylphosphoramide (Schradan). Unlike Schradan, 1 is a solid at room temperature making it one of a few known pyrophosphoramide solids. The crystal structure of 1 was determined by single-crystal X-ray diffraction and compared with that of other previously described solid pyrophosphoramides. The pyrophosphoramide discussed in this study was synthesised by reacting iso-propyl amine with pyrophosphoryl tetrachloride under anhydrous conditions. A unique supramolecular motif was observed when compared with previously published pyrophosphoramide structures having two different intermolecular hydrogen bonding synthons. Furthermore, the potential of a wider variety of supramolecular structures in which similar pyrophosphoramides can crystallise was recognised. Proton (1H) and Phosphorus 31 (31P) Nuclear Magnetic Resonance (NMR) spectroscopy, infrared (IR) spectroscopy, mass spectrometry (MS) were carried out to complete the analysis of the compound.

scholarly journals Synthesis, Structure, and Antiproliferative Activity of Three Gallium(III) Azole Complexes

2010 ◽  
Vol 2010 ◽  
pp. 1-10 ◽  
Author(s):  
Stergios Zanias ◽  
Giannis S. Papaefstathiou ◽  
Catherine P. Raptopoulou ◽  
Konstantinos T. Papazisis ◽  
Vasiliki Vala ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Antiproliferative Activity ◽  
Bioinorganic Chemistry ◽  
Anionic Complex ◽  
X Ray ◽  
X Ray Crystallography ◽  
Mononuclear Complexes ◽  
Human And Mouse ◽  
Antiproliferative Activities

As part of our interest into the bioinorganic chemistry of gallium, gallium(III) complexes of the azole ligands 2,1,3-benzothiadiazole (btd), 1,2,3-benzotriazole (btaH), and 1-methyl-4,5-diphenylimidazole (L) have been isolated. Reaction of btaH or btd withGaBr3orGaCl3resulted in the mononuclear complexes[GaBr3(btaH)2](1) and[GaCl3(btd)2](2), respectively, while treatment ofGaCl3with L resulted in the anionic complex(LH)2[GaCl4](3). All three complexes were characterized by single-crystal X-ray crystallography and IR spectroscopy, while their antiproliferative activities were investigated against a series of human and mouse cancer cell lines.

Crystal and molecular structure of trans-[RhCl(CO)(PtBu2Ph)2]

2018 ◽  
Vol 73 (12) ◽  
pp. 1029-1032
Author(s):  
Peter Mayer ◽  
Hans-Christian Böttcher
Keyword(s):  
Molecular Structure ◽  
Ir Spectroscopy ◽  
Crystal And Molecular Structure ◽  
Title Complex ◽  
High Yield ◽  
X Ray ◽  
Carbonyl Ligands ◽  
Pale Yellow ◽  
X Ray Crystallography ◽  
Type Complex

AbstractTreatment of THF solutions containing the rhodium(II) complex trans-[RhCl2(PtBu2Ph)2] (1) with [Fe2(CO)9] in the same solvent resulted in the formation of the Vaska-type complex trans-[RhCl(CO)(PtBu2Ph)2] (2) in high yield. The title complex 2 was obtained as pale yellow crystals, characterized by NMR and IR spectroscopy, as well as by microanalyses. Additionally, the molecular structure of 2 has been established by X-ray crystallography. As often reported for similar constituted compounds, the chlorido and carbonyl ligands in crystals of 2 are strongly disordered.

A Zinc(II)-Silver(I) Bimetallic Coordination Polymer Assembled Through Argentophilic and π-π Interactions, f[Zn(phen)2(H2O) {Ag(CN)2g][Ag(CN)2]·MeOH}n (phen=1,10-Phenanthroline)

2013 ◽  
Vol 68 (2) ◽  
pp. 161-167 ◽  
Author(s):  
Muhammad Monim-ul-Mehbooba ◽  
Muhammad Ramzan ◽  
Tobias Rüffe ◽  
Heinrich Lang ◽  
Shafqat Naddem ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Analysis ◽  
Ir Spectroscopy ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
X Ray ◽  
Π Interactions ◽  
X Ray Crystallography ◽  
3D Network ◽  
Argentophilic Interactions

A cyanido-bridged Zn(II)-Ag(I) bimetallic coordination polymer, {[Zn(phen)2(H2O){Ag(CN)2}] [Ag(CN)2]·MeOH}n (1), was prepared using ZnCl2, 1,10-phenanthroline (phen) and K[Ag(CN)2] and characterized by IR spectroscopy, thermal analysis and X-ray crystallography. The crystal structure of 1 consists of dinuclear [Zn(phen)2(H2O){Ag(CN)2}]+ cations, [Ag(CN)2]- anions and a methanol molecule. The non-coordinated [Ag(CN)2]- anions are linked to the [Zn(phen)2(H2O){Ag(CN)2}]+ complex cations through argentophilic interactions leading to the formation of chains. The chains are connected by hydrogen bonds and π-π interactions to give a 3D network.

scholarly journals Cu(II) and Fe(III) Complexes Derived from N-Acetylpyrazine-2-Carbohydrazide as Efficient Catalysts Towards Neat Microwave Assisted Oxidation of Alcohols

Catalysts ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 1053 ◽  
Author(s):  
Manas Sutradhar ◽  
Tannistha Roy Barman ◽  
Armando J. L. Pombeiro ◽  
Luísa M. D. R. S. Martins
Keyword(s):  
Catalytic Activity ◽  
Ir Spectroscopy ◽  
Maximum Yield ◽  
Catalytic Efficiency ◽  
Benzyl Alcohols ◽  
X Ray ◽  
X Ray Crystallography ◽  
Microwave Assisted ◽  
Tert Butyl Hydroperoxide ◽  
Oxidation Of Alcohols

The mononuclear Cu(II) complex [Cu((kNN′O-HL)(H2O)2] (1) was synthesized using N-acetylpyrazine-2-carbohydrazide (H2L) and characterized by elemental analysis, IR spectroscopy, ESI-MS and single crystal X-ray crystallography. Two Fe(III) complexes derived from the same ligand viz, mononuclear [Fe((kNN′O-HL)Cl2] (2) and the binuclear [Fe(kNN′O-HL)Cl(μ-OMe)]2 (3) (synthesized as reported earlier), were also used in this study. The catalytic activity of these three complexes (1–3) was examined towards the oxidation of alcohols using tert-butyl hydroperoxide (TBHP) as oxidising agent under solvent-free microwave irradiation conditions. Primary and secondary benzyl alcohols (benzyl alcohol and 1-phenylethanol), and secondary aliphatic alcohols (cyclohexanol) were used as model substrates for this study. A comparison of their catalytic efficiency was performed. Complex 1 exhibited the highest activity in the presence of TEMPO as promoter for the oxidation of 1-phenylethanol with a maximum yield of 91.3% of acetophenone.

scholarly journals Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy

2015 ◽  
Vol 290 (40) ◽  
pp. 24079-24090 ◽  
Author(s):  
Till Rudack ◽  
Sarah Jenrich ◽  
Sven Brucker ◽  
Ingrid R. Vetter ◽  
Klaus Gerwert ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Small Gtpases ◽  
Gtp Hydrolysis ◽  
X Ray ◽  
X Ray Crystallography

A comparative study of 2,4-quinazolinediones by X-ray crystallography. The role of the OMe group on the hydrogen bonding motifs formation

2012 ◽  
Vol 11 (4) ◽  
pp. 259-265
Author(s):  
Leticia Guerrero ◽  
Ruben Montalvo ◽  
Ignacio A. Rivero ◽  
Victor Barba
Keyword(s):  
Hydrogen Bonding ◽  
Comparative Study ◽  
X Ray ◽  
X Ray Crystallography

Structural Variations in Tetrasilver(I) Complexes of Pyrazolate-bridged Compartmental N-Heterocyclic Carbene Ligands

2009 ◽  
Vol 64 (11-12) ◽  
pp. 1542-s1554 ◽  
Author(s):  
Maria Georgiou ◽  
Simone Wöckel ◽  
Vera Konstanzer ◽  
Sebastian Dechert ◽  
Michael John ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Carbene Ligands ◽  
Structural Variations ◽  
X Ray ◽  
Face To Face ◽  
Tert Butyl ◽  
X Ray Crystallography

A set of pyrazole-bridged bis(imidazolium) compounds [H3L1]X2 - [H3 L4]X2 (L1 = 3,5-bis[1-(tert-butyl)imidazolium-1-ylmethyl]-1H-pyrazole; L2 = 3,5-bis[1-(tert-butyl)imidazolium- 1-ylmethyl]-4-phenyl-1H-pyrazole; L3 = 3,5-bis[1-(1-adamantyl)imidazolium-1-ylmethyl]-1Hpyrazole; L4 = 3,5-bis[1-(1-adamantyl)imidazolium-1-ylmethyl]-4-phenyl-1H-pyrazole; X = Cl−, BF4 − or PF6 −) has been prepared, and three compounds have been characterized by X-ray crystallography. The unique [H3L4][H2L4](PF6)3 features a dimeric face-to-face arrangement of two molecules due to the involvement of both the pyrazole-NH and the imidazolium C2H in hydrogen bonding. [H3L1]X2 - [H3L4]X2 serve as precursors for silver(I) complexes with compartmental pyrazolate-bridged bis(NHC) ligands. The complexes have been readily prepared by the Ag2O route and feature either the known [(L1−4)2Ag4]2+ or the new [(H2L1)4Ag4]8+ motif, depending on the solvent for the reaction (MeCN or acetone). [(H2L1)4Ag4](PF6)8 contains a central (pzAg)4 ring with pendant imidazolium side arms. Upon further reaction with Ag2O in MeCN it was found to undergo transformation to the corresponding [(L1)2Ag4](PF6)2. All complexes have been thoroughly studied by NMR spectroscopy in solution, and preliminary luminescence data of [(H2L1)4Ag4](PF6)8 have been recorded

An amino–imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate

2012 ◽  
Vol 69 (1) ◽  
pp. 61-65 ◽  
Author(s):  
Xing-Chen Yan ◽  
Yu-Hua Fan ◽  
Cai-Feng Bi ◽  
Xia Zhang ◽  
Zhong-Yu Zhang
Keyword(s):  
Density Functional Theory ◽  
Ir Spectroscopy ◽  
Ground State ◽  
Density Functional ◽  
Acta Cryst ◽  
Functional Theory ◽  
X Ray ◽  
X Ray Crystallography ◽  
Ground State Structures

The contributions of the amino and imino resonance forms to the ground-state structures of 2-amino-4-methylpyridinium nitrate, C6H9N2+·NO3−, and the previously reported 2-amino-5-methylpyridinium nitrate [Yan, Fan, Bi, Zuo & Zhang (2012).Acta Cryst.E68, o2084], were studied using a combination of IR spectroscopy, X-ray crystallography and density functional theory (DFT). The results show that the structures of 2-amino-4-methylpyridine and 2-amino-5-methylpyridine obtained upon protonation are best described as existing largely in the imino resonance forms.

Sign in / Sign up

Export Citation Format

Share Document