A crystalline cobalt(II)corrinate derived from vitamin B12: preparation and X-ray crystal structure

1987 ◽  
pp. 1678-1680 ◽  
Author(s):  
Bernhard Kräutler ◽  
Walter Keller ◽  
Mark Hughes ◽  
Christian Caderas ◽  
Christoph Kratky
Keyword(s):  
Crystal Structure ◽  
Vitamin B12 ◽  
X Ray

scholarly journals Synthesis, Spectral Characterization and Crystal Structure of Chlororhodibalamin: A Synthesis Platform for Rhodium Analogues of Vitamin B12 and for Rh-Based Antivitamins B12

Synthesis ◽  
2020 ◽  
Vol 53 (02) ◽  
pp. 332-337 ◽  
Author(s):  
Bernhard Kräutler ◽  
Florian J. Widner ◽  
Christoph Kieninger ◽  
Klaus Wurst ◽  
Evelyne Deery ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Vitamin B12 ◽  
Nmr Spectra ◽  
Heteronuclear Nmr ◽  
Structural Similarity ◽  
X Ray ◽  
Metal Free ◽  
3D Geometry ◽  
Resolution Mass

AbstractChlororhodibalamin (ClRhbl), a rhodium analogue of vitamin B12 (cyanocobalamin), was prepared in 84% yield by metalation of the metal-free B12 ligand hydrogenobalamin using the RhI-complex [Rh(CO)2Cl]2. ClRhbl was identified and characterized by UV/Vis, circular dichroism, high-resolution mass and heteronuclear NMR spectra. The RhIII-corrin ClRhbl features the ‘base-on’ architecture of vitamin B12. X-ray analysis of single crystals of ClRhbl have revealed its detailed 3D-geometry and close structural similarity to the CoIII-analogue chlorocobalamin (ClCbl). ClRhbl is a versatile starting material for the preparation of other rhodibalamins, among them the organometallic derivatives adenosylrhodibalamin and methylrhodibalamin, the Rh analogues of the important coenzyme and cofactor forms of B12, adenosylcobalamin and methylcobalamin.

X-Ray Crystal Structure Analysis of Factor A (2-Methyladeninyl-cyanocobamide), a Native Vitamin B12-Analogue

1981 ◽  
Vol 36 (7-8) ◽  
pp. 506-515 ◽  
Author(s):  
Jürgen Kopf ◽  
Klaus von Deuten ◽  
Rainer Bieganowski ◽  
Wilhelm Friedrich
Keyword(s):  
Crystal Structure ◽  
Vitamin B12 ◽  
Structure Analysis ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
Crystal Structure Analysis ◽  
Purine Base ◽  
X Ray ◽  
Heavy Atom Method ◽  
Counter Data

Abstract Vitamin B12-factor A (2-Methyladeninyl-cyanocobamide), Vitamin B12, X-Ray Crystal Structure Analysis The crystal and molecular structure of 2-methyladeninyl-cyanocobamide (factor A) has been determined. This compound crystallizes in space group P21212, with a = 2630.6 (15), b = 2210.6 (13) and c = 1592.1 (9) pm. The structure has been solved by the heavy-atom method and refined by least-squares methods on the basis of 3682 X-ray counter data to R = 0.166 and R w = 0.148. As far as we know, this is the first X-ray-investigation of a purine-corrinoid, which differs from cyanocobalamin (vitamin B12) by containing a purine base instead of 5,6-dimethylbenz-imidazole. The structure analysis of 2-methyladeninyl-cyanocobamide shows unambiguously, that the purine base coordinates with cobalt via N B9. The choice of N B9 as coordinative atom can be ascribed partly (or mainly?) to steric influences, since coordination via N B3, which was also discussed, would presumably lead to severe distortion of the nucleotide loop.

A study on α-RuCl3 crystal structure by scanning tunneling microscopy

1989 ◽  
Vol 47 ◽  
pp. 30-31
Author(s):  
H.-J. Cantow ◽  
H. Hillebrecht ◽  
S. Magonov ◽  
H. W. Rotter ◽  
G. Thiele
Keyword(s):  
Crystal Structure ◽  
Density Distribution ◽  
Scanning Tunneling Microscopy ◽  
Electron Density ◽  
Structure Determination ◽  
Electron Density Distribution ◽  
Scanning Tunneling ◽  
Monoclinic Space Group ◽  
Tunneling Microscopy ◽  
X Ray

From X-ray analysis, the conclusions are drawn from averaged molecular informations. Thus, limitations are caused when analyzing systems whose symmetry is reduced due to interatomic interactions. In contrast, scanning tunneling microscopy (STM) directly images atomic scale surface electron density distribution, with a resolution up to fractions of Angstrom units. The crucial point is the correlation between the electron density distribution and the localization of individual atoms, which is reasonable in many cases. Thus, the use of STM images for crystal structure determination may be permitted. We tried to apply RuCl3 - a layered material with semiconductive properties - for such STM studies. From the X-ray analysis it has been assumed that α-form of this compound crystallizes in the monoclinic space group C2/m (AICI3 type). The chlorine atoms form an almost undistorted cubic closed package while Ru occupies 2/3 of the octahedral holes in every second layer building up a plane hexagon net (graphite net). Idealizing the arrangement of the chlorines a hexagonal symmetry would be expected. X-ray structure determination of isotypic compounds e.g. IrBr3 leads only to averaged positions of the metal atoms as there exist extended stacking faults of the metal layers.

X-ray Crystal Structure of ?9-THC-tosylate

Planta Medica ◽  
2008 ◽  
Vol 74 (03) ◽  
Author(s):  
W Gul ◽  
P Carvalho ◽  
D Slade ◽  
M Avery ◽  
JR Duchek ◽  
...  
Keyword(s):  
Crystal Structure ◽  
X Ray

Crystal structure of an inclusion complex between chiral monoaza-15-crown-5 and S(–)-1-phenyl-ethyl ammonium percholorate

2003 ◽  
Vol 218 (5) ◽  
Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören
Keyword(s):  
Crystal Structure ◽  
Inclusion Complex ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Type

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group

Single Crystal Growth of High-Pressure Phases of Ice and Salt Hydrate Far Below the Original Melting Point by Mixing Alcohol: Crystal Structure Determination of Magnesium Chloride Heptahydrate

2020 ◽  
Author(s):  
Keishiro Yamashita ◽  
Kazuki Komatsu ◽  
Hiroyuki Kagi
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Room Temperature ◽  
Growth Technique ◽  
Salt Hydrate ◽  
X Ray

An crystal-growth technique for single crystal x-ray structure analysis of high-pressure forms of hydrogen-bonded crystals is proposed. We used alcohol mixture (methanol: ethanol = 4:1 in volumetric ratio), which is a widely used pressure transmitting medium, inhibiting the nucleation and growth of unwanted crystals. In this paper, two kinds of single crystals which have not been obtained using a conventional experimental technique were obtained using this technique: ice VI at 1.99 GPa and MgCl<sub>2</sub>·7H<sub>2</sub>O at 2.50 GPa at room temperature. Here we first report the crystal structure of MgCl2·7H2O. This technique simultaneously meets the requirement of hydrostaticity for high-pressure experiments and has feasibility for further in-situ measurements.

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