Single-crystal mixed-valent tripotassium manganate(VI)/(VII). X-ray diffraction structure and electron-transfer rate by dielectric relaxometry and DC conductimetry

1992 ◽  
Vol 88 (20) ◽  
pp. 3071 ◽  
Author(s):  
Michael B. Hursthouse ◽  
Keith C. Quillin ◽  
David R. Rosseinsky
Keyword(s):  
Electron Transfer ◽  
Single Crystal ◽  
Transfer Rate ◽  
X Ray Diffraction ◽  
Electron Transfer Rate ◽  
X Ray ◽  
Diffraction Structure

Molecular tapes in the structure of isoguaninium chloride

2017 ◽  
Vol 74 (1) ◽  
pp. 108-112 ◽  
Author(s):  
Urszula Anna Budniak ◽  
Paulina Maria Dominiak
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Charge Density ◽  
Interaction Energy ◽  
Electrostatic Interaction ◽  
Electrostatic Interactions ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Structure

Isoguanine, an analogue of guanine, is of intrinsic interest as a noncanonical nucleobase. The crystal structure of isoguaninium chloride (systematic name: 6-amino-2-oxo-1H,7H-purin-3-ium chloride), C5H6N5O+·Cl−, has been determined by single-crystal X-ray diffraction. Structure analysis was supported by electrostatic interaction energy (E es) calculations based on charge density reconstructed with the UBDB databank. In the structure, two kinds of molecular tapes are observed, one parallel to (010) and the other parallel to (50\overline{4}). The tapes are formed by dimers of isoguaninium cations interacting with chloride anions. E es analysis indicates that cations in one kind of tape are oriented so as to minimize repulsive electrostatic interactions.

On the Reaction of ortho-Diphenoquinone Valence Isomers with Primary and Secondary Amines. X-Ray Structure Analysis of a 2,3-Dihydro-1H-azepinone and its Photochemical and Oxidative Conversion Products

1979 ◽  
Vol 32 (9) ◽  
pp. 1931 ◽  
Author(s):  
H Becker ◽  
K Gustafsson ◽  
CL Raston ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Secondary Amines ◽  
Reaction Products ◽  
Oxidative Conversion ◽  
X Ray Diffraction ◽  
X Ray ◽  
Primary And Secondary Amines ◽  
Diffraction Structure ◽  
Structure Determinations ◽  
Photochemical Isomerization

Single-crystal X-ray diffraction structure determinations are reported for three reaction products and photoisomers formed from reactions between an o-diphenoquinone valence isomer and primary and secondary amines, namely: 3,5-di-t-butyl-7-(3,5-di-t-butyl-2-hydroxyphenyl)-1-methyl-2,3-dihydro-1H-azepin-2-one (8; R1 = R2 = But, R3 = Me), its photochemical isomerization product 4,6-di-t-butyl-1-(3,5-di-t-butyl-2-hydroxyphenyl)-2-methyl-2-azabicyclo[3,2,0]hept-6-en-3-one (9; R1 = R2 = But, R3 = Me) and 4',5,7-tri-t-butyl-3'-(2,2-dimethylpropionyl)-1'-methylspiro[benzofuran-3(2H)-2'- pyrrolidinel-2,5'-dione (12; R1 = R2 = But, R3 = Me).

Investigation of the light-induced electron-transfer-coupled spin transition in a cyanide-bridged [Co2Fe2] complex by X-ray diffraction and absorption measurements

2014 ◽  
Vol 1 (7) ◽  
pp. 540-543 ◽  
Author(s):  
Yoshihiro Sekine ◽  
Masayuki Nihei ◽  
Reiji Kumai ◽  
Hironori Nakao ◽  
Youichi Murakami ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Single Crystal ◽  
Spin Transition ◽  
X Ray Diffraction ◽  
Tetranuclear Complex ◽  
X Ray ◽  
Absorption Measurements

The light-induced electron-transfer-coupled spin transition in a cyanide-bridged [Co2Fe2] tetranuclear complex has been investigated by single-crystal X-ray diffraction and absorption measurements.

Neutron and X-ray single-crystal diffraction from protein microcrystalsviamagnetically oriented microcrystal arrays in gels

2016 ◽  
Vol 72 (7) ◽  
pp. 823-829 ◽  
Author(s):  
Shu Tsukui ◽  
Fumiko Kimura ◽  
Katsuhiro Kusaka ◽  
Seiki Baba ◽  
Nobuhiro Mizuno ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Single Crystal ◽  
Structure Determination ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Diffraction Structure ◽  
First Time ◽  
Magnetically Aligned

Protein microcrystals magnetically aligned in D2O hydrogels were subjected to neutron diffraction measurements, and reflections were observed for the first time to a resolution of 3.4 Å from lysozyme microcrystals (∼10 × 10 × 50 µm). This result demonstrated the possibility that magnetically oriented microcrystals consolidated in D2O gels may provide a promising means to obtain single-crystal neutron diffraction from proteins that do not crystallize at the sizes required for neutron diffraction structure determination. In addition, lysozyme microcrystals aligned in H2O hydrogels allowed structure determination at a resolution of 1.76 Å at room temperature by X-ray diffraction. The use of gels has advantages since the microcrystals are measured under hydrated conditions.

scholarly journals Balancing Bulkiness in Gold(I) Phosphino-Triazole Catalysis

2019 ◽  
Author(s):  
Yiming Zhao ◽  
Matthew Wakeling ◽  
Fernanda Meloni ◽  
Tze Jing Sum ◽  
Huy van Nguyen ◽  
...  
Keyword(s):  
Single Crystal ◽  
Structure Determination ◽  
Phosphorus Atom ◽  
X Ray Diffraction ◽  
Chloride Complexes ◽  
X Ray ◽  
Diffraction Structure

A series of phosphino triazoles are disclosed, within which, the phosphorus atom is appended by one, two or three triazole motifs. Gold(I) chloride complexes of the synthesised ligands were prepared and analysed by techniques including single crystal X-ray diffraction structure determination. <i>SambVca</i> (2.0) was used to determine percentage buried volumes. The effectiveness of these gold(I) chloride complexes to serve as precatalysts for alkyne hydration were assessed.<br>

The Deoxygenation of Some Carbohydrate Diols Via the Derived Cyclic Thiocarbonate

1986 ◽  
Vol 39 (4) ◽  
pp. 699 ◽  
Author(s):  
JJ Patroni ◽  
RV Stick ◽  
LM Engelhardt ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Methyl Iodide ◽  
Structure Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Tributyltin Hydride ◽  
Diffraction Structure

The treatment of methyl 2,6-di-O-methyl-3,4-O-thiocarbonyl-β-D-galactoside with methyl iodide gives mainly the 3-deoxy-3-iodo-D-guloside , whereas the α- anomer of the above and methyl 2-O-methyl-3,4- O- thiocarbonyl-β-L-arabinoside give mainly the 4-deoxy-4-iodo-D- glycosides. An explanation is given for these and some previously reported results. As well, two of the above cyclic thiocarbonates (β-D-galacto and β-L- arabino), together with two cyclic thiocarbonates derived from methyl α-D- mannopyranoside, when treated with tributyltin hydride, gave mixtures (nearly 1:1) of products resulting from deoxygenation . Single-crystal X-ray diffraction structure determination of the β-D- galacto and the β-L- arabino cyclic thiocarbonates showed both pyranose rings to be in the 4C1 conformation.

scholarly journals Pyridine-promoted Cyclization of Functionalized N-Silylated Boron-Nitrogen Compounds

2011 ◽  
Vol 66 (12) ◽  
pp. 1225-1230 ◽  
Author(s):  
Fanny Schurz ◽  
Martin Jansen
Keyword(s):  
Single Crystal ◽  
Nitrogen Compounds ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Structure ◽  
Silyl Groups ◽  
Boron Nitrogen

Dichloroboryldisilylamines [SiClm(CH3)3−m]N[Si(CH3)3](BCl2) (m = 1 - 3) as well as chloromethylboryl- bis-(chlorodimethylsilyl)amine [SiCl(CH3)2]2N[BCl(CH3)] form 1 : 1 adducts with pyridine (1 - 4). Those with m = 2 and 3 have been converted into functionalized diazadiboretidine derivatives which are still coordinated by pyridine: [(SiClm(CH3)3−m)NBCl · Py]2 (5: m = 2, 6: m = 3). Single-crystal X-ray diffraction structure analyses confirm the presence of planar, rhombusshaped, four-membered boron-nitrogen rings with tetra-coordinated boron atoms and nitrogenbonded, chlorine-functionalized silyl groups, for both compounds.

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