scholarly journals A C-shaped p-sulfonatocalix[4]arene-based supermolecule exhibiting mutual-inclusion and bilayer insertion of dipicolinate

CrystEngComm ◽  
2014 ◽  
Vol 16 (18) ◽  
pp. 3749-3757 ◽  
Author(s):  
Ahmad Husain ◽  
Clive L. Oliver
Keyword(s):  
Structural Analysis ◽  
Single Crystal ◽  
Thermal Methods ◽  
X Ray ◽  
Hot Stage Microscopy ◽  
Hirshfeld Analysis

A p-sulfonatocalix[4]arene-based, C-shaped supermolecule, [Ce3(PDA)4(C4AS)2·13H2O](NO3)·25H2O 1 was prepared and characterized by single crystal X-ray structural analysis, thermal methods (TG, DSC and hot-stage microscopy) and Hirshfeld analysis.

scholarly journals Single Crystal X-ray Structural Analysis and Electronic Theory of Sugar Molecules

2020 ◽  
Vol 835 ◽  
pp. 012023
Author(s):  
Norito Taniguchi ◽  
Tomohiko Ishii ◽  
Bui Quoc Huy ◽  
Genta Sakane
Keyword(s):  
Structural Analysis ◽  
Single Crystal ◽  
X Ray ◽  
Electronic Theory

scholarly journals Single-Crystal X-Ray Structural Analysis and Electronic Structures Calculation of Rare Sugar

2020 ◽  
Vol 835 ◽  
pp. 012015
Author(s):  
Bui Quoc Huy ◽  
Tomohiko Ishii ◽  
Norito Taniguchi ◽  
Natsumi Nagayama ◽  
Genta Sakane
Keyword(s):  
Structural Analysis ◽  
Single Crystal ◽  
Electronic Structures ◽  
Rare Sugar ◽  
X Ray

A Study of Weathering in a Soil Derived from a Biotite-Hornblende Rock

Clay Minerals ◽  
1970 ◽  
Vol 8 (4) ◽  
pp. 435-444 ◽  
Author(s):  
M. J. Wilson ◽  
V. C. Farmer
Keyword(s):  
Single Crystal ◽  
Clay Mineral ◽  
Minor Phase ◽  
Optical Studies ◽  
Thermal Methods ◽  
X Ray

AbstractThe weathering of hornblende in the Rehiran profile has been investigated by optical, X-ray, infrared and differential thermal methods. Optical studies of the fresh hornblende show that it contains discrete lamellar intergrowths of another amphibole which, from infrared evidence, is of an iron-rich nature. This minor phase is selectively weathered in the lower horizons and yields a clay mineral which was identified as interstratified swelling chlorite-saponite. The major hornblende component remains relatively unchanged. Single crystal photographs indicate that the formation of the clay mineral is not structurally controlled by the parent hornblende, although there is a tendency towards alignment along cleavage planes. The clay mineral becomes unstable in the upper part of the profile and could not be detected in the A horizon. Comparisons are made with the findings of other workers.

Triterpenoid Constituents in the Bark of Balanops australiana

2000 ◽  
Vol 53 (9) ◽  
pp. 809 ◽  
Author(s):  
William N. Setzer ◽  
Mary C. Setzer ◽  
R. Lynton Peppers ◽  
Michael B. McFerrin ◽  
Edward J. Meehan ◽  
...  
Keyword(s):  
Natural Products ◽  
Spectral Analysis ◽  
Structural Analysis ◽  
Single Crystal ◽  
Betulinic Acid ◽  
Bark Extract ◽  
X Ray

Two new triterpenoid natural products (friedelane-3,21α-diol and friedelane-3α,28,29-triol) have been isolated from the chloroform bark extract of Balanops australiana from Paluma, north Queensland, Australia. The known triterpenoids betulinic acid, friedelin, canophyllol, zeylanol and 21α-hydroxyfriedelan-3-one were also isolated. The structures of the compounds were elucidated on the basis of spectral analysis. A single-crystal X-ray structural analysis has been carried out on 21α-hydroxyfriedelan-3-one.

A Series of Enthalpy/Entropy-Driven Reversible Dissolution/Reorganization Equilibriums in the System of Cu(NO3)2–HL–GdX3–H2O (HL=5-methylpyrazine-2-carboxylic acid; X=Cl, Br, NO3, ClO4)

2014 ◽  
Vol 67 (11) ◽  
pp. 1679
Author(s):  
Sheng Zhang ◽  
Qi Yang ◽  
Xiangyu Liu ◽  
Gang Xie ◽  
Qing Wei ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Magnetic Property ◽  
Structural Analysis ◽  
Carboxylic Acid ◽  
Single Crystal ◽  
Coordination Polymers ◽  
X Ray Diffraction ◽  
X Ray ◽  
2D Network ◽  
Thermal Stability Of

Five coordination polymers, [Cu(L)2]n (1), {[Cu(L)(Cl)(H2O)]·H2O}2n (2), [KCu(L)(μ-Cl)2]n (3), [Cu(L)(Br)H2O]n (4), and {[Cu0.5(HL)(H2O)](NO3)·H2O}2n (5) (HL = 5-methylpyrazine-2-carboxylic acid) were obtained by reactions of a pyramidal CuII-containing ligand, {[Cu(L)2(H2O)]·3H2O}n (LCu), with Gd(ClO4)3·6H2O, GdCl3·6H2O, GdCl3·6H2O/KCl, GdBr3·6H2O, or Gd(NO3)3·6H2O in water. Structural analysis reveals that the structures of these compounds range from a 0D block to a 2D network with modification of the environment of the CuII ions compared with LCu. Interestingly, there occurred a series of reversible dissolution/reorganization equilibriums between the initial reactants and the final products 1–5, which were determined as enthalpy/entropy driven chemical equilibriums by single crystal X-ray diffraction and microcalorimetry. In addition, the thermal stability of 1–4 and the magnetic property of 2 are discussed.

Structural Analysis of a Potent Seed Germination Stimulant

2005 ◽  
Vol 58 (7) ◽  
pp. 505 ◽  
Author(s):  
Gavin R. Flematti ◽  
Emilio L. Ghisalberti ◽  
Kingsley W. Dixon ◽  
Robert D. Trengove ◽  
Brian W. Skelton ◽  
...  
Keyword(s):  
Structural Analysis ◽  
Seed Germination ◽  
Single Crystal ◽  
X Ray ◽  
Germination Stimulant ◽  
Crystallographic Study

A single-crystal X-ray crystallographic study of a seed germination stimulant isolated from plant-derived smoke confirms it to be 3-methyl-2H-furo[2,3-c]pyran-2-one 1.

scholarly journals N-Acetyl Indole Linked to a Fused Triazolo/Thiadiazole Scaffold: Synthesis, Single Crystal X-Ray Structure, and Molecular Insight

Crystals ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 600
Author(s):  
Ahmed T. A. Boraei ◽  
Saied M. Soliman ◽  
Sammer Yousuf ◽  
Memoona Bibi ◽  
Assem Barakat
Keyword(s):  
Single Crystal ◽  
High Resolution Mass Spectrometry ◽  
Atomic Charge ◽  
Dft Method ◽  
Chemical Yield ◽  
Structural Features ◽  
Strong Interactions ◽  
X Ray ◽  
Reactivity Descriptors ◽  
Hirshfeld Analysis

The designed target compound of N-acetyl indole linked to a fused triazolo/thiadiazole scaffold was synthesized via the reaction of 4-amino-5-(1H-indol-2-yl)-1,2,4-triazol-3(2H)-thione as the starting material with acetic anhydride under reflux conditions for 6 h, resulting in an excellent and pure chemical yield. The structural features of the designed compound were confirmed using spectroscopic tools including single crystal X-ray diffraction analysis along with 1H-NMR, 13C-NMR, 2D-NMR, and high resolution mass spectrometry. Using Hirshfeld analysis, we determined the molecular packing depends on strong interactions (O···H and N···H) along with weak interactions (S···H, C···H and H···H). The shortest contacts corresponding to the N3···H12 (2.490 Å), N2···H5 (2.503 Å), and O1···H2 (2.490 Å) interactions were confirmed based on the Hirshfeld analysis. The calculated dipole moment was 6.6557 Debye. The atomic charge distribution, molecular electrostatic potential map, and reactivity descriptors are also discussed. The computed NMR spectra of the requisite compound correlated well with the results obtained experimentally. The UV-Vis electronic spectra of the requisite compound were simulated using the TD-DFT method and compared with the experimental data. The different σ→σ*, π→π*, n→σ*, and n→π* donor–acceptor interactions and their interaction energies stabilized the studied system to 9.84, 20.65, 29.33, and 45.82 kcal/mol, respectively.

Structural analysis of and selective CO2 adsorption in mixed-ligand hydroxamate-based metal–organic frameworks

2020 ◽  
Vol 49 (29) ◽  
pp. 9948-9952 ◽  
Author(s):  
Koh Sugamata ◽  
Chikaze Takagi ◽  
Keiko Awano ◽  
Teruyuki Iihama ◽  
Mao Minoura
Keyword(s):  
Structural Analysis ◽  
Single Crystal ◽  
Co2 Adsorption ◽  
Isonicotinic Acid ◽  
Metal Organic Frameworks ◽  
Mixed Ligand ◽  
Gas Sorption ◽  
X Ray ◽  
X Ray Crystallography ◽  
Metal Organic

Two mixed-ligand metal–organic frameworks using benzene-1,4-dihydroxamic acid and isonicotinic acid were synthesized and fully characterized by single-crystal X-ray crystallography as well as N2, H2, and CO2 gas-sorption measurements.

Sign in / Sign up

Export Citation Format

Share Document