ChemInform Abstract: Contributions to the Chemistry of Boron. Part 229. A Deceiving X-Ray Single Crystal Structure Determination: Amino-Hydrogen Exchange in Amino-Alkynylboranes and ab initio Investigations of Alkynylboranes, Borirenes, and Boraallenes.

ChemInform ◽  
2010 ◽  
Vol 26 (41) ◽  
pp. no-no
Author(s):  
N. METZLER ◽  
H. NOETH
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Ab Initio ◽  
Structure Determination ◽  
Hydrogen Exchange ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
X Ray

The Stereochemistry of Organometallic Compounds. LX. Rhodium-Catalyzed Reactions of Hydrogen and Carbon Monoxide With Alkenylanilines

1994 ◽  
Vol 47 (6) ◽  
pp. 1043 ◽  
Author(s):  
D Anastasiou ◽  
EM Campi ◽  
H Chaouk ◽  
GD Fallon ◽  
WR Jackson ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Carbon Monoxide ◽  
Single Crystal ◽  
Structure Determination ◽  
Cross Coupling ◽  
Organometallic Compounds ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
X Ray ◽  
Catalyzed Reactions

Rhodium- catalysed reactions of o- or p- cyano-N-allylanilines with H2/CO give N- arylpyrrolidine aldehydes resulting from a double hydroformylation sequence. In contrast reactions of o- or p-methyl-N-allylanilines or N- allylaniline itself with H2/CO give ' dimeric ' compounds resulting from self-condensation reactions of an initially formed hydroformylation product together with varying amounts of the double hydroformylation product. Similar reactions of o-cyano-N-but-3-enylanilines give low yields of double hydroformylation products and major products arising from hydrogenation or cross coupling of intermediate enamines. The structure of one of these products, N-2-cyanophenyl-5-(N′-2-cyanophenyl-3-methyl-pyrrolidin-2-yl)-1,2,3,4-tetrahydropyridine (17) (IUPAC name: 2-[5-{1-(2-cyanophenyl)-3-methylpyrrolidin-2-yl}-1,2,3,4-tetrahydropyridin-1-yl] benzonitrile ) was confirmed by an X-ray single-crystal structure determination.

Synthesis and Single Crystal X-Ray Structure of Ethyl 2-(1,3-Benzoxazol- 2-yl)-5-oxo-3-(4-toluidino)-2,5-dihydro-4-isoxazolecarboxylate

2007 ◽  
Vol 62 (5) ◽  
pp. 705-710 ◽  
Author(s):  
Ali Souldozi ◽  
Jabbar Khalafy ◽  
Ahmad Poursattar Marjani ◽  
Katarzyna Ślepokura ◽  
Tadeusz Lis ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Structure Determination ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
X Ray ◽  
C Nmr

Abstract Ethyl 5-oxo-3-(4-toluidino)-2,5-dihydro-4-isoxazolecarboxylate was prepared from the reaction of diethyl 2-(4-toluidinocarbothioyl)malonate with hydroxylamine. Its reaction with 2- chlorobenzoxazole gave the corresponding N-substituted isoxazolone. The structure of the final product 4 was confirmed by IR, 1H and 13C NMR spectroscopy and mass spectrometry, and by X-ray single crystal structure determination.

scholarly journals Single-crystal structure determination from microcrystalline powders (∼5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer

CrystEngComm ◽  
2016 ◽  
Vol 18 (14) ◽  
pp. 2404-2407 ◽  
Author(s):  
Chiaki Tsuboi ◽  
Kazuaki Aburaya ◽  
Fumiko Kimura ◽  
Masataka Maeyama ◽  
Tsunehisa Kimura
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
X Ray

Complete X-ray single-crystal structure determination and Raman spectrum of NH4[C(CN)3]

2017 ◽  
Vol 72 (7) ◽  
pp. 517-521
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Title Compound ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
X Ray ◽  
Related Compounds

AbstractThe crystal structure of NH4[C(CN)3] has been determined via X-ray single-crystal methods at 203(2) K corroborating earlier results. Additionally, the hydrogen positions have been determined and the Raman spectrum of the title compound recorded on single crystals. The spectroscopic results are compared to those for related compounds.

Synthesis and X-ray structure of hexakis (N,N-dimethylacetamide-O)magnesium tetrachloromagnesate

1994 ◽  
Vol 209 (12) ◽  
Author(s):  
L. Pavanello ◽  
P. Visonà ◽  
S. Bresadola ◽  
G. Bandoli
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Ionic Structure ◽  
X Ray ◽  
Oxygen Atoms

AbstractThe preparation and the X-ray single-crystal structure determination of {Mg[CHThe obtained compound shows an ionic structure in which the Mg cation is coordinated by six dimethylaccetamide moieties through the oxygen atoms and the tetrahedral [MgCl

scholarly journals Die Kristallstruktur von Calciumhexacyanoferrat(II)- Hexamethylentetramin-Wasser(1/1/6) Ca2 [Fe(CN)6] · C6H12N4 · 6H2O / The Crystal Structure of Calciumhexacyanoferrate(II)- Hexamethylenetetramine-Water(1/1/6) Ca2[Fe(CN)6] · C 6H12N4 · 6H2O

1988 ◽  
Vol 43 (2) ◽  
pp. 135-137 ◽  
Author(s):  
H.-Jürgen Meyer ◽  
Joachim Pickardt
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Unit Cell ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

Ca2[Fe(CN)6] · C6H12N4 · 6H2O crystallizes in the monoclinic space group B2/b with a = 1130,2(4), b = 1373,5(4), c = 1353,0(4) pm and γ = 97,17°. The X-ray single crystal structure determination converged at R = 0.055 (2057 reflections). Each of the four Fe(CN)6 octahedra (Z = 4) in the unit cell is coordinated by six Ca atoms with mean NCYAN - Ca distances of 253.5(3) pm. The Ca atoms are bridged by hexamethylenetetramine and water molecules

Synthesis and Single Crystal Structure Determination of Bis(carbido)bis(μ-diphenylphosphido)heptadecacarbonyloctaruthenium-Dichloromethane (1/1), Ru8(μ6-C)(μ5-C)(μ-PPh2)2(CO)17.CH2Cl2

1993 ◽  
Vol 46 (11) ◽  
pp. 1811 ◽  
Author(s):  
CJ Adams ◽  
MI Bruce ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Title Compound ◽  
Room Temperature ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Triangular Face ◽  
X Ray

The synthesis and room-temperature single-crystal X-ray structure determination of the title compound are recorded. Crystals are monoclinic, P 21/c, a 14.43(2), b 18.39(1), c 23.64(3) Ǻ, β 123.16(7)°, Z = 4, isostructural with the recently described Fe3Ru5 analogue; R was 0.048 for 6892 'observed' data [I > 3σ(I)]. The cluster is one of the few containing separated carbide ligands within a polyhedral metal skeleton, consisting of an Ru5C square pyramid and an Ru6C octahedron sharing a triangular face, with two PPh2 groups bridging opposite Ru-Ru vectors in each polyhedron.

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