scholarly journals Copper(II) ions mediated crystal formation of 3-(3-hydroxy phenyl)-1-phenyl-1h-pyrazole- 4-carbaldehyde

2021 ◽  
Vol 34 (3) ◽  
pp. 589-596
Author(s):  
A. R. Banpurkar ◽  
S. S. Wazalwar ◽  
F. Perdih
Keyword(s):  
Hydrogen Bonding ◽  
Schiff Base ◽  
Crystal Growth ◽  
Key Words ◽  
Copper Ions ◽  
Spectroscopic Characterization ◽  
Water Molecules ◽  
Crystal Formation ◽  
Stacking Interactions ◽  
X Ray

Schiff base obtained from 3-hydroxyacetophenone and phenylhydrazine was subjected to Vilsmeier-Haack reaction to obtain 3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde (2). Successful formation of crystals of 2 was achieved using copper ions (Cu2+) as template. Present paper reports study of spectroscopic characterization and single-crystal X-ray study of 2. Hydrogen bonding network between 2 and water molecules enable the formation of 2D layer along ab-plane supported also by π···π stacking interactions of parallel molecules in head-to-head fashion.                     KEY WORDS: Cu2+ assisted crystal growth, Pyrazole-4-carbaldehyde, X-ray crystal study, Hydrogen bonding study   Bull. Chem. Soc. Ethiop. 2020, 34(3), 589-596. DOI: https://dx.doi.org/10.4314/bcse.v34i3.13

A uudd Cyclic Water Tetramer and an Opened Octameric Water Cluster in the Charge-Transfer Salts of the Bipyridinium Cation

2005 ◽  
Vol 58 (8) ◽  
pp. 572 ◽  
Author(s):  
Yan-qiong Sun ◽  
Jie Zhang ◽  
Zhan-feng Ju ◽  
Guo-Yu Yang
Keyword(s):  
Hydrogen Bonding ◽  
Charge Transfer ◽  
Ir Spectroscopy ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Single Crystal Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Charge Transfer Salts ◽  
New Association

Two novel charge-transfer salts, [(Bpyph)(SCN)2]·2H2O 1 and {(HBpyph)[Fe(CN)6]}·5.5H2O 2, have been synthesized and characterized using elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction studies. Compound 1 is the first bipyridinium charge-transfer salt containing a cyclic water tetramer, in which the uudd cyclic water tetramers built from four symmetry related water molecules join the Bpyph2+ cations to the dimer by hydrogen bonds between the water molecules and the nitrogen atoms of Bpyph2+. The cooperation of the hydrogen-bonding and π–π stacking interactions between the pyridyl groups results in the formation of an infinite ribbon with a herringbone arrangement. An opened water octamer has been observed in 2. It presents a new association mode of water molecules that is not predicted theoretically nor found experimentally. The water octamer is hydrogen-bonded to two HBpyph3+ cations and two [Fe(CN)6]3− anions to form water octamer-bridged HBpyPh-Fe(CN)6 dimers, which are further connected to each other via π–π offset stacking interactions to generate an infinite one-dimensional ribbon.

1-n-Propyl- and 1-n-butyl-3-hydroxy-2-methyl-4-pyridinone complexes of group 13 (IIIA) metal ions

1991 ◽  
Vol 69 (5) ◽  
pp. 893-900 ◽  
Author(s):  
Linda Simpson ◽  
Steven J. Rettig ◽  
James Trotter ◽  
Chris Orvig
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Key Words ◽  
Elemental Analysis ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
One Pot ◽  
Group 13 ◽  
X Ray ◽  
H Nmr

The aluminum, gallium, and indium tris(ligand) complexes of 3-hydroxy-2-methyl-1-n-propyl-4-pyridinone and 1-n-butyl-3-hydroxy-2-methyl-4-pyridinone have been prepared and characterized. All six compounds were prepared in a one-pot synthesis from maltol, n-propyl-, or n-butylamine and an appropriate metal(III) salt, and were completely characterized (IR, FAB-MS, 1H NMR, 27Al NMR, elemental analysis). Three of the six complexes were studied by single-crystal X-ray diffraction and were found to form trihydrates, unlike their 1-methyl and 1-ethyl analogues, which formed dodecahydrates. The n-butylpyridinone complex Al(C10H14NO2)3•3H2O (Al(nbp)3•3H2O) and n-propylpyridinone complexes Al(C9H12NO2)3•3H2O (Al(npp)3•3H2O), and Ga(C9H12NO2)3•3H2O (Ga(npp)3•3H2O) were essentially isostructural, crystallizing in the space group [Formula: see text] with the following crystal parameters for Al(nbp)3•3H2O (Al(npp)3•3H2O, Ga(npp)3•3H2O): a = 15.885(1) (15.328(1), 15.367(2)) Å, c = 7.280(8) (7.231(2), 7.256(2)) Å, Z = 2. the data were refined by using 1280 (1377, 1802) reflections with I > 3σ(I) to R andRw values of 0.047 (0.057, 0.055) and 0.061 (0.077, 0.081), respectively. They form fac geometries with infinite chains of hydrogen bonds parallel to the c axis similar to those found in the 1-methyl and 1-ethyl complexes. They lack the hexagonal channels of water molecules which characterized the dodecahydrates and are therefore not exoclathrates. Key words: metal complexes, hydroxypyridinone ligands, exoclathrate, hydrogen bonding, crystal structures.

A New Organic-Inorganic Hybrid Based on L-Arginine and Polyoxoanion

2015 ◽  
Vol 1105 ◽  
pp. 335-338
Author(s):  
Qiong Wu ◽  
Jing Lu ◽  
Xiao Lin Ji ◽  
Tao Yu Zou ◽  
Zhen Fang Qiao ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Sodium Cation ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Photocatalytic Activities ◽  
Metal Organic ◽  
Supramolecular Networks

Modifying polyoxometalates with organic and/or metal-organic moieties is a widely adopted method for broading the range of properties. In this work a new polyoxometalate constructed from Anderson-type polyoxoanions and L-arginine (Arg =L-arginine) molecules Na [CrMo6(OH)6O18]}(H2Arg)2·8H2O(1) has been synthesized via conventional method and characterized by routine techniques. Single-crystal X-Ray diffraction analysis shows that compound 1 is constructed by chiralL-arginine grafted Anderson-type clusters, sodium cation and water molecules which are further stabilized by hydrogen bonding interactions constitute 3D supramolecular networks. In addition, both antitumor behavior and photocatalytic activities of compound 1 were investigated.

A two-dimensional silver(I) coordination polymer constructed from 4-aminophenylarsonate and triphenylphosphane: poly[[(μ3-4-aminophenylarsonato-κ3N:O:O)(triphenylphosphane-κP)silver(I)] monohydrate]

2015 ◽  
Vol 71 (4) ◽  
pp. 258-261 ◽  
Author(s):  
Zu-Ping Xiao ◽  
Meng Wen ◽  
Chun-Ya Wang ◽  
Xi-He Huang
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Mode ◽  
Aqueous Ammonia ◽  
Van Der Waals Interactions ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Solvent Water ◽  
Hydrogen Bonding Interactions ◽  
Amine Groups

The title compound, {[Ag(C6H7AsNO3)(C18H15P)]·H2O}n, has been synthesized from the reaction of 4-aminophenylarsonic acid with silver nitrate, in aqueous ammonia, with the addition of triphenylphosphane (PPh3). The AgIcentre is four-coordinated by one amino N atom, one PPh3P atom and two arsonate O atoms, forming a severely distorted [AgNPO2] tetrahedron. Two AgI-centred tetrahedra are held together to produce a dinuclear [Ag2O2N2P2] unit by sharing an O–O edge. 4-Aminophenylarsonate (Hapa−) adopts a μ3-κ3N:O:O-tridentate coordination mode connecting two dinuclear units, resulting in a neutral [Ag(Hapa)(PPh3)]nlayer lying parallel to the (10\overline{1}) plane. The PPh3ligands are suspended on both sides of the [Ag(Hapa)(PPh3)]nlayer, displaying up and down orientations. There is anR22(8) hydrogen-bonded dimer involving two arsonate groups from two Hapa−ligands related by a centre of inversion. Additionally, there are hydrogen-bonding interactions involving the solvent water molecules and the arsonate and amine groups of the Hapa−ligands, and weak π–π stacking interactions within the [Ag(Hapa)(PPh3)]nlayer. These two-dimensional layers are further assembled by weak van der Waals interactions to form the final architecture.

A novel dinuclear bismuth(III) coordination compound: bis(μ-pyridine-2,6-dicarboxylato)-κ4O2,N,O6:O6′;κ4O2:O2′,N,O6-bis[(azido-κN)(1,10-phenanthroline-κ2N,N′)bismuth(III)] tetrahydrate

2014 ◽  
Vol 70 (6) ◽  
pp. 562-565 ◽  
Author(s):  
Wei Zhang ◽  
Yu-Quan Feng
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Coordination Compound ◽  
Photoelectron Spectroscopy ◽  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray

A novel dinuclear bismuth(III) coordination compound, [Bi2(C7H3NO4)2(N3)2(C12H8N2)2]·4H2O, has been synthesized by an ionothermal method and characterized by elemental analysis, energy-dispersive X-ray spectroscopy, IR, X-ray photoelectron spectroscopy and single-crystal X-ray diffraction. The molecular structure consists of one centrosymmetric dinuclear neutral fragment and four water molecules. Within the dinuclear fragment, each BiIIIcentre is seven-coordinated by three O atoms and four N atoms. The coordination geometry of each BiIIIatom is distorted pentagonal–bipyramidal (BiO3N4), with one azide N atom and one bridging carboxylate O atom located in axial positions. The carboxylate O atoms and water molecules are assembledviaO—H...O hydrogen bonds, resulting in the formation of a three-dimensional supramolecular structure. Two types of π–π stacking interactions are found, with centroid-to-centroid distances of 3.461 (4) and 3.641 (4) Å.

The hydrogen bonding structure of adsorbed water on silver iodide and Feldspar minerals

2020 ◽  
Author(s):  
Markus Ammann ◽  
Huanyu Yang ◽  
Luca Artiglia ◽  
Anthony Boucly
Keyword(s):  
Hydrogen Bonding ◽  
Water Vapor ◽  
Silver Iodide ◽  
Adsorbed Water ◽  
Photoelectron Spectra ◽  
Water Molecules ◽  
Xps Spectra ◽  
X Ray ◽  
Bonding Structure ◽  
Electron Yield

<p>The hydrogen bonding structure of adsorbed water on a solid substrate may control deposition nucleation, which is a pathway of heterogeneous ice nucleation. Hydrogen bonding of water molecules is also controlling the interface between the solid and liquid water relevant for other heterogeneous freezing modes. The hydrogen bonding structure may be affected by short and long-range interactions between the substrate and the water molecules nearby. Electron yield near edge X-ray absorption fine structure (NEXAFS) spectroscopy at the oxygen K-edge is used to experimentally explore the difference between the hydrogen bonding structure of interfacial H<sub>2</sub>O molecules under different conditions of temperature and water vapor pressure. Experiments reported in this work were performed at the in-situ electron spectroscopy endstation at the ISS beamline at the Swiss Light Source (PSI, SLS). We report electron yield oxygen K-edge NEXAFS spectra and X-ray photoelectron spectra from silver iodide (AgI) particles and milled feldspar samples exposed to water vapor at high relative humidity, but subsaturated with respect to ice. AgI serves as a well-studied reference case; and it contains no oxygen in its lattice, which simplifies the analysis of NEXAFS spectra at the O K-edge. The feldspar samples include a potassium containing microcline and a sodium-rich albite. The analysis of the NEXAFS spectra indicate rather tetrahedrally coordinated adsorbed water molecules on AgI particles. On the feldspars, the mobility of ions, as directly observed by the XPS spectra appears to have a strong impact on the hydrogen bonding structure, as apparent from substantial differences between samples previously immersed in pure water or as prepared. To sum up, we attempt to understand the behavior of the hydrogen bonding structure, which provides rich information about the arrangement of water molecules in the vicinity of a solid surface, that is linked to the ability of the solid to induce ice formation.</p>

Protonation site and hydrogen bonding in anhydrous and hydrated crystalline forms of doxazosin mesylate from powder data

2003 ◽  
Vol 59 (6) ◽  
pp. 787-793 ◽  
Author(s):  
Vladimir V. Chernyshev ◽  
Denis Machon ◽  
Andrew N. Fitch ◽  
Sergei A. Zaitsev ◽  
Alexandr V. Yatsenko ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Water Molecules ◽  
Protonation Site ◽  
X Ray ◽  
Space Groups ◽  
Solvent Water ◽  
Doxazosin Mesylate ◽  
Crystalline Forms ◽  
Solid State Structures

The three-dimensional solid-state structures of two modifications of doxazosin mesylate C23H26N5O_5^+·CH3SO_3^-, 4-amino-2-[4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazin-1-yl]-6,7-dimethoxyquinazoline methanesulfonate, a commonly used antihypertensive agent, have been determined by synchrotron X-ray powder diffraction. An anhydrous form (A) and a dihydrate form (d G) crystallize in monoclinic space groups. In both forms the doxazosin molecule is protonated at the N1 atom of the quinazoline bicycle. The N1 atom, and the amino H atoms and O atoms of the mesylate moieties are involved in three-dimensional hydrogen-bonding networks, while solvent water molecules and carboxamide O atoms are also incorporated in a hydrogen-bonding network in d G.

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