Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis

2007 ◽  
Vol 129 (8) ◽  
pp. 2383-2391 ◽  
Author(s):  
Masaki Kawano ◽  
Katsuyuki Hirai ◽  
Hideo Tomioka ◽  
Yuji Ohashi
Keyword(s):  
Structure Determination ◽  
Crystallographic Analysis ◽  
X Ray

Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction

CrystEngComm ◽  
2019 ◽  
Vol 21 (1) ◽  
pp. 41-52 ◽  
Author(s):  
Siriyara Jagannatha Prathapa ◽  
Cara Slabbert ◽  
Manuel A. Fernandes ◽  
Andreas Lemmerer
Keyword(s):  
Crystal Structure ◽  
Fatty Acid ◽  
Fatty Acid Ester ◽  
Structure Determination ◽  
Homologous Series ◽  
Methyl Esters ◽  
X Ray Diffraction ◽  
X Ray

In situ cryocrystallisation enabled the crystal structure determination of a homologous series of low-melting n-alkyl methyl esters Cn−1H2n+1CO2CH3.

scholarly journals Structure determination of membrane (and soluble) proteins using in meso in situ serial X-ray crystallography at room and cryogenic temperatures

2016 ◽  
Vol 72 (a1) ◽  
pp. s181-s182
Author(s):  
Chia-Ying Huang ◽  
Nicole Howe ◽  
Vincent Olieric ◽  
Rangana Warshamanage ◽  
Pikyee Ma ◽  
...  
Keyword(s):  
Structure Determination ◽  
Soluble Proteins ◽  
Cryogenic Temperatures ◽  
X Ray ◽  
X Ray Crystallography

Synthesis and Structure Determination of 2,3-Diphenyl-2H-1,4-Benzoxazin-2-ol

2007 ◽  
Vol 2007 (9) ◽  
pp. 548-551 ◽  
Author(s):  
Katayoun Marjani ◽  
Jafar Asgarian ◽  
Mohsen Mousavi
Keyword(s):  
Elemental Analysis ◽  
Structure Determination ◽  
Main Product ◽  
Crystallographic Analysis ◽  
Spectroscopic Methods ◽  
X Ray

A stable hemiacetal, 2,3-diphenyl-2H-1,4-benzoxazin-2-ol, was isolated as the main product from the reaction of benzil and o-aminophenol in THF. The structure of the product is confirmed by elemental analysis, common spectroscopic methods, and X-ray crystallographic analysis.

scholarly journals On the diterpenoids of Andrographis paniculata: X-ray crystallographic analysis of andrographolide and structure determination of new minor diterpenoids.

1984 ◽  
Vol 32 (6) ◽  
pp. 2117-2125 ◽  
Author(s):  
TETSURO FUJITA ◽  
RYUJIRO FUJITANI ◽  
YOSHIO TAKEDA ◽  
YOSHIHISA TAKAISHI ◽  
TOSHIHIDE YAMADA ◽  
...  
Keyword(s):  
Structure Determination ◽  
Crystallographic Analysis ◽  
Andrographis Paniculata ◽  
X Ray

scholarly journals Isolation and structure determination of missing fullerenes Gd@C 74 (CF 3 ) n through in situ trifluoromethylation

2018 ◽  
Vol 5 (9) ◽  
pp. 181015 ◽  
Author(s):  
Ayano Nakagawa ◽  
Shinobu Aoyagi ◽  
Haruka Omachi ◽  
Katsuma Ishino ◽  
Makiko Nishino ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
High Performance ◽  
Density Functional ◽  
Crystallographic Analysis ◽  
X Ray ◽  
Multi Stage ◽  
Highest Occupied Molecular Orbital ◽  
Lowest Unoccupied Molecular Orbital

Our trifluoromethyl functionalization method enables the dissolution and isolation of missing metallofullerenes of Gd@C 74 (CF 3 ) n . After multi-stage high-performance liquid chromatography purification, Gd@C 74 (CF 3 ) 3 and two regioisomers of Gd@C 74 (CF 3 ) are isolated. X-ray crystallographic analysis reveals that all of the isolated metallofullerenes react with CF 3 groups on pentagons of the D 3 h -symmetry C 74 cages. Highest occupied molecular orbital-lowest unoccupied molecular orbital gaps of these trifluoromethylated derivatives, estimated by absorption spectra, are in the range 0.71–1.06 eV, consistent with density functional calculations.

Structure–sweetness relationships for fructose analogs. Part II. Synthesis and properties of 1,6-dihydroxy-2-hexanone, a simple analog of the ketohexoses, and X-ray structure determination of the corresponding dianhydrides

1985 ◽  
Vol 63 (6) ◽  
pp. 1222-1227 ◽  
Author(s):  
Walter A. Szarek ◽  
Olivier R. Martin ◽  
Robert J. Rafka ◽  
T. Stanley Cameron
Keyword(s):  
Structure Determination ◽  
Deuterium Oxide ◽  
Crystallographic Analysis ◽  
Open Chain ◽  
X Ray ◽  
Acidic Conditions ◽  
Simple Analog

Labile 1,6-dihydroxy-2-hexanone (4) was prepared from the corresponding triol by selective di-O-tritylation, Collins oxidation, and careful detritylation of the resulting keto compound 3 under mild, acidic conditions. As shown by its 1Hmr and 13Cmr spectra, 4 exists as a 3:2 mixture of open-chain and cyclic forms, respectively, at equilibrium in deuterium oxide (25 °C). Upon standing, 4 is slowly converted into a hemiacetalic dimer. Under acidic conditions, dehydrative dimerization takes place to give the corresponding tricyclic dianhydride, one or both of the possible isomers (1:1 mixture) of which being formed according to the presence or absence of water in the medium. The structure (trans) of the thermodynamic isomer 5 was firmly established by an X-ray crystallographic analysis.

scholarly journals Sulfur and Selenium Complexes of the Hydrido-tri(3,5-dimethyl-1-pyrazolyl) borate Nitrosylmolybdenum Fragment, [Tp*Mo(NO)]. An X-Ray Crystal Structure Determination of Tp*Mo(NO)(Se5)

1996 ◽  
Vol 51 (5) ◽  
pp. 681-685 ◽  
Author(s):  
Max Herberhold ◽  
Guo-Xin Jin ◽  
Arnold L. Rheingold
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Mass Spectroscopy ◽  
Structure Determination ◽  
Chair Conformation ◽  
Crystal Structure Determination ◽  
X Ray ◽  
Hydrolysis Of

The reactions of hydrido-tri(3,5-dimethyl-1-pyrazolyl)borate nitrosylmolybdenum diiodide, Tp*Mo(NO)I2 (2), with the oligochalcogenides (NH4)2S10 and (NEt4)2Se6 in THF solution lead to mononuclear cyclo-pentachalcogenido complexes, Tp*Mo(NO)(E5) (E = S (3a), Se (3b)). In the presence of either H2S or H2Se (generated by slow “in situ” hydrolysis of AI2E3 in moist THF solution) 2 is converted into binuclear chalcogenido-bridged products, Tp*2Mo2(NO)2(μ-E)2(E = S (4a), Se (4b)) which are more conveniently obtained from 3a,b by dechalcogenation with tri(″butyl)phosphane (1:4,5). The new chalcogen complexes 3a,b and 4a,b were characterized by IR, NMR and mass spectroscopy and compared with the related chalcogen compounds derived from pentamethylcyclopentadienyl nitrosylmolybdenum diiodide, Cp*Mo(NO)l2. The molecular structure of Tp*Mo(NO)(Se5) (3b) has been determined; the complex contains a sixmembered MoSe5; metallacycle in the chair conformation and a linearly coordinated nitrosyl ligand (angle Mo-N-O 178.9(17)°).

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.

Sign in / Sign up

Export Citation Format

Share Document