New lamellar oxophosphorus derivatives of nickel(II): x-ray powder diffraction structure determinations and magnetic studies of Ni(HPO3).H2O, NiCl(H2PO2).H2O, and NixCo1-x(HPO3).H2O solid solutions

1993 ◽  
Vol 32 (23) ◽  
pp. 5044-5052 ◽  
Author(s):  
M. Dolores Marcos ◽  
Pedro Amoros ◽  
Fernando Sapina ◽  
Aurelio Beltran-Porter ◽  
Ramon Martinez-Manez ◽  
...  
Keyword(s):  
Powder Diffraction ◽  
Solid Solutions ◽  
Magnetic Studies ◽  
X Ray ◽  
Diffraction Structure ◽  
Structure Determinations ◽  
Derivatives Of

Neue Pentaphosphaferrocene

2009 ◽  
Vol 64 (1) ◽  
pp. 3-10 ◽  
Author(s):  
Fabian Dielmann ◽  
Roger Merkle ◽  
Sebastian Heinl ◽  
Manfred Scheer
Keyword(s):  
Crystal Lattice ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cyclopentadienyl Ligand ◽  
Π Stacking ◽  
Diffraction Structure ◽  
Structure Determinations ◽  
Phenyl Rings ◽  
Derivatives Of

By cothermolysis of [CpRFe(CO)2]2 [CpR = η5-C5(CH2Ph)5 (Cpbn) (1) and η5-C5Me4C2H4SMe (CpS) (2)] with P4 phosphorus two novel pentaphosphaferrocenes of the formula [CpRFe(η5-P5)] [CpR = CpS (3), Cpbn (4)] have been synthesised and comprehensively characterised. These two products represent the first derivatives of this class of compounds with a functionalised as well as a sterically bulky adjacent cyclopentadienyl ligand. The pentabenzylcyclopentadienyl derivative 4 as well as both of the starting materials [CpRFe(CO)2]2 1 and 2 have been additionally characterised by X-ray diffraction structure determinations. The pentaphosphaferrocene 4 represents in the crystal lattice highly aggregated units via intra- and intermolecular π-stacking interactions of the phenyl rings of the Cpbn ligand.

X-ray powder diffraction and Mössbauer spectroscopic studies on the solubility limits in γ-FeOOH/γ-AIOOH solid solutions

1994 ◽  
Vol 29 (12) ◽  
pp. 3269-3273 ◽  
Author(s):  
E. Wolska ◽  
J. Šubrt ◽  
Z. Hába ◽  
J. Tláskal ◽  
U. Schwertmann
Keyword(s):  
Powder Diffraction ◽  
Solid Solutions ◽  
Spectroscopic Studies ◽  
X Ray

New Polydiacetylenes with Visible Chromophoric Side Groups

1997 ◽  
Vol 488 ◽  
Author(s):  
James L. Foley ◽  
Venkataramani Shivshankar ◽  
Daniel J. Sandman
Keyword(s):  
Raman Spectra ◽  
Powder Diffraction ◽  
X Ray ◽  
Derivatives Of

AbstractIn the interest of obtaining crystalline polydiacetylene with absorption at longer wavelengths, new derivatives of 2,4-hexadiyne with planar, visible absorbing aromatic chromophores have been designed, synthesized, and thermally polymerized. The resulting polymers have a red shifted maximum with absorption extending to the infrared. Their Raman spectra show the usual polydiacetylene ene-yne structure, and X-ray powder diffraction reveals that the new polymers are crystalline.

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).

High‐Resolution X‐Ray Powder Diffraction Structure Determination of C60F48

2006 ◽  
Vol 14 (2-3) ◽  
pp. 279-285 ◽  
Author(s):  
R. J. Papoular ◽  
H. Allouchi ◽  
A. V. Dzyabchenko ◽  
V. A. Davydov ◽  
A. V. Rakhmanina ◽  
...  
Keyword(s):  
High Resolution ◽  
Powder Diffraction ◽  
Structure Determination ◽  
X Ray ◽  
Diffraction Structure

The Conformation of Some 1,6-Disulfide-Bridged D-Hexopyranoses

2005 ◽  
Vol 58 (3) ◽  
pp. 199 ◽  
Author(s):  
Ethan D. Goddard-Borger ◽  
Brian W. Skelton ◽  
Robert V. Stick ◽  
Allan H. White
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Similar Investigation ◽  
X Ray ◽  
X Ray Crystallography ◽  
Structure Determinations ◽  
Derivatives Of

The use of 1H NMR spectroscopy, in tandem with X-ray crystallography, has cast light on the conformation of the 1,6-disulfide-bridged derivatives of d-gluco-, d-manno-, d-allo-, d-galacto-, and d-talo-pyranose. A similar investigation was performed on the thiosulfinate derived from the d-gluco disulfide. Single-crystal X-ray structure determinations are reported for (1S,5S,6S,7S,8R)-6,7,8-tribenzoyloxy-9-oxa-2,3-dithiabicyclo[3.3.1]nonane, (1S,5S,6S,7R,8R)-6,7,8-tribenzoyloxy-9-oxa-2,3-dithiabicyclo[3.3.1]nonane, and (1S,2S,5S,6S,7S,8R)-6,7,8-triacetoxy-9-oxa-2,3-dithiabicyclo[3.3.1]nonane 2-oxide.

scholarly journals Powder X-ray diffraction of trimethoprim Form I, C14H18N4O3

2020 ◽  
Vol 35 (1) ◽  
pp. 69-70
Author(s):  
Jerry Hong ◽  
Joseph T. Golab ◽  
James A. Kaduk ◽  
Amy M. Gindhart ◽  
Thomas N. Blanton
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
The United States ◽  
Unit Cell ◽  
Cell Length ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Determinations ◽  
Unit Cell Length

Trimethoprim crystallizes in the triclinic space group P-1 (#2) with a = 10.5085(3), b = 10.5417(2), c = 8.05869(13) Å, α = 101.23371(21), β = 112.1787(3), γ = 112.6321(4)°, V = 743.729 Å3, and Z = 2. A reduced cell search in the Cambridge Structural Database yielded three previous structure determinations, using data collected at 100 K, 173 K, and room temperature. In this work, the sample was ordered from the United States Pharmacopeial Convention (USP) and analyzed as-received. The room temperature (295 K) crystal structure was refined using synchrotron (λ = 0.412826 Å) powder diffraction data and optimized using density functional theory techniques. We found similar hydrogen bonding patterns with the previous determinations. In addition, we identified two C–H⋯O hydrogen bonds, which also contribute to the crystal energy. When comparing the previously reported trimethoprim structure determinations, the unit cell length lattice parameters were found to contract at lower temperatures, particularly 100 K. All structures show reasonable agreement, with unit cell length differences ranging between 0.05 and 0.15 Å. The diffraction data for this study were collected on beamline 11-BM at the Advanced Photon Source, and the powder X-ray diffraction pattern of the compound has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).

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