2.3 Å Resolution X-ray Crystal Structure of the Bisubstrate Analogue Inhibitor Salicylhydroxamic Acid Bound to Human Myeloperoxidase:  A Model for a Prereaction Complex with Hydrogen Peroxide†,‡

Biochemistry ◽  
1996 ◽  
Vol 35 (33) ◽  
pp. 10967-10973 ◽  
Author(s):  
Curt A. Davey ◽  
Roger E. Fenna
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide ◽  
Salicylhydroxamic Acid ◽  
X Ray ◽  
Prereaction Complex

Kristallstruktur des Doppelkomplexsalzes trans-(py2CH2)[Pt(OH)2(ox)2]transs-(py2CH2)[Pt(OH)(ox)2(H2O)]2·4H2O / Crystal Structure of the Double Complex Salt trans-(py2CH2)[Pt(OH)2(ox)2](H2O)]2·4H2O

1998 ◽  
Vol 53 (5-6) ◽  
pp. 569-572 ◽  
Author(s):  
J.-G. Uttecht ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Peroxide ◽  
Hydrogen Bonds ◽  
Structure Determination ◽  
Complex Salt ◽  
Double Complex ◽  
Double Complex Salt ◽  
X Ray ◽  
Complex Anions

Abstract By treatment of [Pt(ox)2]2- with hydrogen peroxide the octahedral trans-[Pt(OH)2(ox)2]2- is formed. From the saturated aqueous solution in the presence of dipyridiniomethane dications single crystals of the double complex salt trans-(py2CH2)[Pt(OH)2(ox)2] trans-(py2CH2)[Pt(OH)(ox)2(H2O)]2 · 4H2O were grown and an X-ray structure determination (tricli­nic, space group P1̄, a = 8.649(1), b = 11.189(3), c = 12.731 (2) Å, α = 79.075(12), β = 80.725(8), γ= 73.932(13)°, Z = 1) has been performed. The centrosymmetric trans-[Pt(OH)2(ox)2]2- is connected via hydrogen bonds between its hydroxide groups and the aqua ligands of two protonated complex anions trans-[Pt(OH)(ox)2(H2O)]- .

Synthesis and Crystal Structure of Pergolide Sulfoxide

1998 ◽  
Vol 63 (6) ◽  
pp. 803-812 ◽  
Author(s):  
Jan Čejka ◽  
Zdeněk Horák ◽  
Svetlana Pakhomova ◽  
Bohumil Kratochvíl ◽  
Petr Sedmera ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide ◽  
Ergot Alkaloids ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

Pergolide sulfoxide (1), a metabolite of pergolide (2), has been prepared by oxidation of 2 with hydrogen peroxide. Its structure was determined by X-ray diffraction and compared with the structures of related ergot alkaloids. Two molecules of pergolide (S)- and (R)-sulfoxide crystallize with one molecule of water in the orthorhombic space group P212121 with a = 12.216(3) Å, b = 13.733(2) Å, c = 22.186(6) Å, Z = 4, V = 3 722(2) Å3.

X-Ray structure determination of 1,2-anhydro-3,4:5,6-di-O-isopropylidene-1-C-nitro-D-mannitol

1988 ◽  
Vol 66 (7) ◽  
pp. 1600-1604 ◽  
Author(s):  
Walter A. Szarek ◽  
George W. Hay ◽  
Ramesh K. Sood ◽  
Konia Trouton ◽  
Suzanne Fortier
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide ◽  
Direct Methods ◽  
Major Product ◽  
Calculated Density ◽  
Aqueous Sodium ◽  
X Ray ◽  
X Ray Crystallography ◽  
Cell Dimensions

The structure of the major product of the reaction of 1,2-dideoxy-3,4:5,6-di-O-isopropylidene-1-C-nitro-D-arabino-hex-1-enitol with 30% hydrogen peroxide and aqueous sodium hydrogencarbonate has been confirmed by X-ray crystallography to be that of 1,2-anhydro-3,4:5,6-di-O-isopropylidene-1-C-nitro-D-mannitol (2). The crystal structure of 2, C12H19NO7, is orthorhombic, P212121, with cell dimensions a = 10.269(3), b = 15.115(7), c = 9.295(8) Å, and Z = 4. The calculated density is Dx = 1.336 gcm−3. The structure was solved by direct methods and refined to a residual R = 0.052. The molecule has a 2G− conformation having bond lengths and angles in agreement with those observed in related structures, except for the C(1)—C(2), C(2)—C(3), and O(2N)—N bond distances which were found to be unusually small.

Synthesis, crystal structure, and catalytic properties of 2,2’-bipyridyl-dicyano-palladium(II)

2015 ◽  
Vol 2 (2) ◽  
pp. 74-78
Author(s):  
Karthikeyan.V
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide ◽  
Catalytic Properties ◽  
Structural Parameters ◽  
In Situ Synthesis ◽  
Title Complex ◽  
Homogeneous Catalyst ◽  
X Ray ◽  
Solvothermal Condition

In the solvothermal condition, a Pd(II) complex with a in situ synthesis ligand, [Pd(2,2’-bipy)2(CN)2] (1) was obtained and characterized by elemental analysis, IR, UV, TG, and powder X-ray analysis. The single crystal X-ray analysis showed that the title complex is different from the reported 2,2’-bipyridyldicyano-palladium(II) (2) in crystal system and structural parameters. The catalytic investigation for the reactions of the disproportionation of hydrogen peroxide and oxidation of sulfide showed that the complex 1 is an active homogeneous catalyst in the presence of imidazole and 2-sulfobenzoic acid, respectively.

Beiträge zur Chemie des 4,5-Benzo-3-methyl-1,3,2-oxazaphosphorinan- 6-on Ringsystems: Röntgenstrukturanalysen an einem Bis(2-chlorethyl)amino- und einem Acetamido-substituierten Derivat / Chemistry of the 4,5-Benzo-3-methyl-1,3,2-oxazaphosphorinan-6-one Ring System: X-Ray Crystal Structure Analysis of a Bis(2-chloroethyl)amino- and of an Acetamido-Substituted Derivative

1994 ◽  
Vol 49 (7) ◽  
pp. 939-949 ◽  
Author(s):  
Axel Fischer ◽  
Ion Neda ◽  
Thomas Kaukorat ◽  
Ralf Sonnenburg ◽  
Peter G. Jones ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide ◽  
Elemental Sulfur ◽  
Crystal Structure Analysis ◽  
Ring System ◽  
Molecular Structures ◽  
X Ray ◽  
Spectrometric Data ◽  
Structure Determinations ◽  
Phosphoryl Compound

Abstract The reaction of 4,5-benzo-2-chloro-3-methyl-1,3,2-oxazaphosphorinan-6-one 1 with 1,2-bis- (trimethylsiloxy)ethane led to the bisphosphoryl species 2a and to the isomeric bisphosphite derivative 2b. The reaction of 1 with heptamethyldisilazane furnished the expected diphos­phorus compound 3, with two λ3P(III) atoms linked by a methylamino group. Substitution of the chlorine atom of 1 by the 2-chloroethylamino and bis(2-chloroethyl)amino group led to the oxazaphosphorinanones 4 and 6. By oxidation of 4 with the hydrogen peroxide/urea 1:1-adduct, the phosphoryl compound 5 was formed. Oxidation of 4,5-benzo-2-diethyl- amino-3-methyl-1,3,2-oxazaphosphorinan-6-one 7 [1] with hydrogen peroxide, sulfur and se­lenium led to the corresponding phosphoryl, thiophosphoryl and selenophosphoryl com­pounds 8-10. Analogously, the reaction of the dimethylamino- and acetamido-substituted derivatives 11 and 13 [1] with elemental sulfur furnished the thiophosphoryl compounds 12 and 14. X-ray crystal structure determinations of 4 and 14 confirmed the molecular structures, proposed in accord with NMR spectroscopic and mass spectrometric data. The heterocyclic rings are essentially planar. In 14 a hydrogen bond N-H···O (amide) is observed.

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

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