Self assembly of a novel water soluble iron(ii) macrocyclic phosphine complex from tetrakis(hydroxymethyl)phosphonium sulfate and iron(ii) ammonium sulfate: single crystal X-ray structure of the complex [Fe(H2O)2{RP(CH2N(CH2PR2)CH2)2PR}]SO4·4H2O (R = CH2OH)

2000 ◽  
pp. 101-102 ◽  
Author(s):  
John C. Jeffery ◽  
Barbara Odell ◽  
Nicola Stevens ◽  
Robert E. Talbot
Keyword(s):  
Single Crystal ◽  
Ammonium Sulfate ◽  
Self Assembly ◽  
Water Soluble ◽  
X Ray ◽  
Soluble Iron ◽  
Phosphine Complex

Crystal structures of (S)- and (R,S)-2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxides and of their barium salts: absolute configuration and molecular distortion enforced by supramolecular self-assembly

1997 ◽  
Vol 212 (3) ◽  
Author(s):  
P. Vojtíšek ◽  
I. Císařová ◽  
J. Podlaha ◽  
Z. Žák ◽  
S. Böhm ◽  
...  
Keyword(s):  
Single Crystal ◽  
Dicarboxylic Acid ◽  
Crystal Structures ◽  
Absolute Configuration ◽  
Self Assembly ◽  
Barium Salt ◽  
X Ray Diffraction ◽  
X Ray

AbstractCrystal structures of the title compounds were determined by single crystal X-ray diffraction. Absolute configuration of the barium salt of (+)-(

Synthesis, Structure and Properties of a Novel Metal-Organic Coordination Polymer, [Zn (NH3)2(BDC)]n

2013 ◽  
Vol 575-576 ◽  
pp. 30-36 ◽  
Author(s):  
Ning Ning Wu ◽  
Can Xiong Guo ◽  
Gui An Wu ◽  
Zhao Cai ◽  
Wan Hong He
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Self Assembly ◽  
Terephthalic Acid ◽  
Differential Scanning Calorimetric ◽  
X Ray Diffraction ◽  
X Ray ◽  
Acid Ligand ◽  
Metal Organic

A novel one-dimensional metal-organic coordination polymer, [Zn (NH3)2(BDC)]n (BDC=1,4-benzenedicaboxylate), has been synthesized by solvent evaporation method through self-assembly of Zn (II) salts with terephthalic acid ligand in ammonia aqueous solution. Single crystal X-ray diffraction analysis indicated that each Zn (II) was coordinated by two nitrogen donors from two NH3 and two oxygen counter donors from terephthalic acid ligand. The adjacent zigzag chains are arranged in a parallel fashion and linked by interchain hydrogen bonding interaction and π-π stacking interactions into higher-dimensional framework. The compound has also been characterized by CHN elemental analyses, Single crystal X-ray diffraction analysis, powder X-ray diffraction (PXRD) analysis, Fourier transform infrared (FT-IR) spectra, Thermalgravimetric-differential scanning calorimetric (TG-DSC) and Solid-state nuclear magnetic resonance (NMR), etc. Results showed that the framework of compound was stable at the temperature up to 246°C. The desolvated product [Zn (BDC)]n, which was obtained by removal of molecular NH3 from [Zn (NH3)2(BDC)]n, can be transferred to the different skeleton structures through coordinating different small hydrogen-bond-forming molecules.

scholarly journals Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage

2017 ◽  
Vol 41 (3) ◽  
pp. 1179-1185 ◽  
Author(s):  
N. N. Adarsh ◽  
Amarnath Chakraborty ◽  
Màrius Tarrés ◽  
Surjendu Dey ◽  
Fernando Novio ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Solvent Effects ◽  
Self Assembly ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray

A metallosupramolecular cage and a one-dimensional coordination polymer have been synthesized and structurally characterized by single crystal X-ray diffraction.

scholarly journals Synthesis, Characterization, and Catalytic Studies of Mn(III)-Schiff Base-Dicyanamide Complexes: Checking the Rhombicity Effect in Peroxidase Studies

2017 ◽  
Vol 2017 ◽  
pp. 1-10 ◽  
Author(s):  
Manuel R. Bermejo ◽  
Rocío Carballido ◽  
M. Isabel Fernández-García ◽  
Ana M. González-Noya ◽  
Gustavo González-Riopedre ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Schiff Base ◽  
Solid State ◽  
Elemental Analysis ◽  
Self Assembly ◽  
Metal Ion ◽  
Water Soluble ◽  
Intramolecular Interactions ◽  
X Ray ◽  
Peroxidase Mimics

The condensation of 3-methoxy-2-hydroxybenzaldehyde and the diamines 1,2-diphenylendiamine, 1,2-diamine-2-methylpropane and 1,3-propanediamine yielded the dianionic tetradentate Schiff base ligands N,N′-bis(2-hydroxy-4-methoxybenzylidene)-1,2-diphenylendiimine (H2L1), N,N′-bis(2-hydroxy-4-methoxybenzylidene)-1,2-diamino-2-methylpropane (H2L2) and N,N′-bis(2-hydroxy-4-methoxybenzylidene)-1,3-diaminopropane (H2L3) respectively. The organic compounds H2L1 and H2L2 have been characterized by elemental analysis, IR, 1H and 13C NMR spectroscopies and mass spectrometry electrospray (ES). The crystal structure of H2L2 in solid state, solved by X-ray crystallography, is highly conditioned in the solid state by two N-H•••N intramolecular interactions. The synthesis of three new manganese(III) complexes 1–3, incorporating these ligands, H2L1–H2L3, and dicyanamide (DCA), is reported. The complexes 1–3 have been physicochemically characterized by elemental analysis, IR and paramagnetic 1H NMR spectroscopy, ESI mass spectrometry, magnetic moment at room temperature and conductivity measurements. Complex 1 has been crystallographically characterized. The X-ray structure shows the self-assembly of the Mn(III)-Schiff base-DCA complex through µ-aquo bridges between neighbouring axial water molecules and also by π-π stacking interactions, establishing a dimeric structure. The manganese complexes were also tested as peroxidase mimics for the H2O2-mediated reaction with the water-soluble trap ABTS, showing complexes 1-2 relevant peroxidase activity in contrast with 3. The rhombicity around the metal ion can explain this catalytic behaviour.

scholarly journals X-Ray Diffraction of Magnetically Oriented Microcrystals of Protein

2014 ◽  
Vol 70 (a1) ◽  
pp. C349-C349
Author(s):  
Shu Tsukui ◽  
Fumiko Kimura ◽  
Kimihiko Mizutani ◽  
Bunzo Mikami ◽  
Tsunehisa Kimura
Keyword(s):  
Single Crystal ◽  
Three Dimensional ◽  
Water Soluble ◽  
Dimensional Structure ◽  
Diffraction Measurement ◽  
X Ray Diffraction ◽  
Consolidation Process ◽  
X Ray ◽  
Three Dimensional Structure

Elucidation of the three-dimensional structure of biomolecules is of great importance because the three-dimensional structure is closely related to biological functions. X-ray single-crystal analysis is powerful method to analyze the structure, but it is sometimes difficult to grow a crystal sufficiently large for conventional or even synchrotron single-crystal X-ray measurement. We recently reported on a magnetically oriented microcrystal array (MOMA) [1] that is a composite in which microcrystals are aligned three-dimensionally in polymer matrix. Microcrystals are suspended in an ultraviolet-curable monomer and rotated non-uniformly in a static magnetic field to achieve three dimensional crystal alignment. Then, the monomer is photopolymerized to maintain the achieved alignment. We have successfully demonstrated that X-ray single crystal structure determinations through MOMA are possible for low molecular weight compounds [2] as well as protein. [3] However, the method with MOMA has two drawbacks: (i) the sample microcrystals cannot be recovered from a MOMA, which is especially serious problem in case of proteins, and (ii) the alignment is deteriorated during the consolidation process, causing low resolution. In this study, we attempt to solve these problems. First, we use a water-soluble sol as microcrystalline media and consolidate the alignment by gelation, which makes the recovery of microcrystals possible. Second, a magnetically oriented microcrystal suspension (MOMS) is used for in-situ X-ray diffraction measurement, which makes the sample recovery possible and enhances the resolution. We use lysozyme as a model protein for both cases. The in-situ method with in-house X-ray diffractometer gave diffraction spots about 3.0 Å resolutions. We plan to perform the same experiment at SPring-8.

A water soluble calcium–sodium based coordination polymer: selective release of calcium at specific binding sites on proteins

RSC Advances ◽  
2014 ◽  
Vol 4 (46) ◽  
pp. 24038-24041 ◽  
Author(s):  
Ruchi Gaur ◽  
Ambadipudi Susmitha ◽  
K. V. R. Chary ◽  
Lallan Mishra
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Binding Sites ◽  
Specific Binding ◽  
Water Soluble ◽  
Coordination Complex ◽  
X Ray Diffraction ◽  
X Ray ◽  
Specific Binding Sites ◽  
Soluble Calcium

A calcium–sodium based water soluble coordination complex, [{Ca4Na(EGTA)2(H2O)13}n·NO3] (EGTA = ethylene bis(oxyethylenenitrilo)tetraaceticacid), has been synthesized hydrothermally and characterized using spectroscopic and single crystal X-ray diffraction techniques.

scholarly journals Controlling the Emission Properties of Quantum Rods via Multiscale 3D Ordered Organization

2021 ◽  
Vol 2021 ◽  
pp. 1-9
Author(s):  
Thomas Bizien ◽  
Marie Postic ◽  
Pascale Even-Hernandez ◽  
Pascal Panizza ◽  
Cristelle Mériadec ◽  
...  
Keyword(s):  
Optical Properties ◽  
Self Assembly ◽  
Optical Response ◽  
Optically Active ◽  
Water Soluble ◽  
X Ray ◽  
Quantum Rods ◽  
X Ray Scattering ◽  
Optical Electron ◽  
Assembly Behavior

A specific organization of optically active nanoscale objects can greatly affect the optical response of a system. Here, we report the controlled modification of the fluorescent emission by the assembly of water-soluble quantum rods (QRs). Our study combines optical, electron microcopy, and X-ray scattering characterizations to reveal a correlation between the self-assembly behavior of QRs into ordered 3D-arrays and the optical properties (luminescence) of formed assemblies, where the observed optical response is highly dependent on the QR aspect ratio. Specifically, shorter, 18 nm long QRs (QR18), exhibiting a well-defined smectic packing, demonstrate an enhancement of the emission intensity accompanied by a red shift and a lifetime reduction. In contrast, 40 nm long QRs (QR40), forming a columnar phase, does not show these optical properties.

scholarly journals Different Polyoxometalate Structures Obtained from the Na11H[H(2-x)Bi2W20O70(HWO3)x]·46H2O(x=1.4).

2018 ◽  
Vol 1 (2) ◽  
pp. 93-100
Author(s):  
Suhair Atta
Keyword(s):  
Single Crystal ◽  
Self Assembly ◽  
Multiple Testing ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Space Groups ◽  
Cell Parameters ◽  
New Family ◽  
Ft Ir

In the supramolecular chemistry world, Polyoxometalates (POMs) are considered as a new family of inorganic molecular containers, construct itself by self-assembly reaction from very small units, to form a cluster with unique structural and properties. three structures reported in this paper - differ in their unit cell parameters and also differ from the well-known - as the result of reaction of the Na11H[H(2- x)Bi2W20O70(HWO3)x]·46H2O (x=1.4) with Ca ion at different pH conditions. These structures are [Ca(H2O)7]2[Na(H2O)2]2[HBi2W20O70(HWO3)].14H2O(1), H2[NH4]10[HBi2W20O70(HWO3)] (2), and [NH4]6[Na(H2O)4]2[Ca(H2O)4]2[W12O42].2H2O (3). The last one is bismuth-free and it is formed through reassembly of the precursor. Full structural characterization was made by multiple testing techniques such as single-crystal X-ray diffraction, UV-visible spectroscopy, FT-IR, thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS). The single-crystal X-ray diffraction results for the three compounds are as follows:(1), Triclinic, space group P-1, while (2) and (3) crystallize in monoclinic space groups C2/m and P21/n respectively.

Self-Assembling l-d-l-Tripeptides Dance the Twist

Synlett ◽  
2020 ◽  
Vol 31 (05) ◽  
pp. 434-438 ◽  
Author(s):  
Maria C. Cringoli ◽  
Ottavia Bellotto ◽  
Rita De Zorzi ◽  
Attilio V. Vargiu ◽  
Silvia Marchesan
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Single Crystal ◽  
Self Assembly ◽  
Building Blocks ◽  
Supramolecular Structures ◽  
X Ray Diffraction ◽  
Supramolecular Materials ◽  
X Ray ◽  
Self Assembling

Minimalistic peptides composed of d- and l-amino acids are attractive building blocks for functional supramolecular materials, including catalysts. d-Amino acids have long been known to promote turn conformations in peptides, yet unexpected twists continue to emerge on their effects on self-assembly. The combination of single-crystal X-ray diffraction and full-atom molecular dynamics have finally unraveled fine details of how l-d-l-tripeptides visit different conformations in solution and establish key interactions in supramolecular structures.

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