Towards the Synthesis of Imidazopyridine Derivatives: Characterization, Single Crystal XRD, Hirshfeld Analysis, and Biological Evaluation

2021 ◽  
Vol 6 (4) ◽  
pp. 843-851
Author(s):  
Sharanya Kuthyala ◽  
Sareen Sheikh ◽  
G. K. Nagaraja ◽  
B. R. Kannika ◽  
S. Madan Kumar ◽  
...  
Keyword(s):  
Single Crystal ◽  
Biological Evaluation ◽  
Single Crystal Xrd ◽  
Hirshfeld Analysis ◽  
Imidazopyridine Derivatives

Synthesis, Characterization, Single-Crystal XRD, and Biological Evaluation of Nickel(II) Salen Sulfadiazine Complex

2016 ◽  
Vol 46 (12) ◽  
pp. 1751-1758
Author(s):  
S. Jone Kirubavathy ◽  
R. Velmurugan ◽  
B. Tamilarasan ◽  
R. Karvembu ◽  
N. S. P. Bhuvanesh ◽  
...  
Keyword(s):  
Single Crystal ◽  
Biological Evaluation ◽  
Single Crystal Xrd

scholarly journals Crystal Structure of Moganite and Its Anisotropic Atomic Displacement Parameters Determined by Synchrotron X-ray Diffraction and X-ray/Neutron Pair Distribution Function Analyses

Minerals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 272
Author(s):  
Seungyeol Lee ◽  
Huifang Xu ◽  
Hongwu Xu ◽  
Joerg Neuefeind
Keyword(s):  
Crystal Structure ◽  
Distribution Function ◽  
Single Crystal ◽  
Pair Distribution Function ◽  
Atomic Displacement ◽  
Single Crystal Xrd ◽  
X Ray Diffraction ◽  
X Ray ◽  
Neutron Pair ◽  
Atomic Displacement Parameters

The crystal structure of moganite from the Mogán formation on Gran Canaria has been re-investigated using high-resolution synchrotron X-ray diffraction (XRD) and X-ray/neutron pair distribution function (PDF) analyses. Our study for the first time reports the anisotropic atomic displacement parameters (ADPs) of a natural moganite. Rietveld analysis of synchrotron XRD data determined the crystal structure of moganite with the space group I2/a. The refined unit-cell parameters are a = 8.7363(8), b = 4.8688(5), c = 10.7203(9) Å, and β = 90.212(4)°. The ADPs of Si and O in moganite were obtained from X-ray and neutron PDF analyses. The shapes and orientations of the anisotropic ellipsoids determined from X-ray and neutron measurements are similar. The anisotropic ellipsoids for O extend along planes perpendicular to the Si-Si axis of corner-sharing SiO4 tetrahedra, suggesting precession-like movement. Neutron PDF result confirms the occurrence of OH over some of the tetrahedral sites. We postulate that moganite nanomineral is stable with respect to quartz in hypersaline water. The ADPs of moganite show a similar trend as those of quartz determined by single-crystal XRD. In short, the combined methods can provide high-quality structural parameters of moganite nanomineral, including its ADPs and extra OH position at the surface. This approach can be used as an alternative means for solving the structures of crystals that are not large enough for single-crystal XRD measurements, such as fine-grained and nanocrystalline minerals formed in various geological environments.

Structural characterization of cevimeline and its trans -impurity by single crystal XRD

2016 ◽  
Vol 118 ◽  
pp. 404-409 ◽  
Author(s):  
Dmitrijs Stepanovs ◽  
Zenta Tetere ◽  
Irisa Rāviņa ◽  
Viktors Kumpiņš ◽  
Daina Zicāne ◽  
...  
Keyword(s):  
Single Crystal ◽  
Structural Characterization ◽  
Single Crystal Xrd

Synthesis and characterization of low-OH fluor-chlorapatite: A single-crystal XRD and NMR spectroscopic study

2008 ◽  
Vol 93 (1) ◽  
pp. 210-216 ◽  
Author(s):  
F. M. McCubbin ◽  
H. E. Mason ◽  
H. Park ◽  
B. L. Phillips ◽  
J. B. Parise ◽  
...  
Keyword(s):  
Single Crystal ◽  
Spectroscopic Study ◽  
Synthesis And Characterization ◽  
Single Crystal Xrd

scholarly journals (R)-Baclofen [(R)-4-amino-3-(4-chlorophenyl)butanoic acid]

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Feodor Belov ◽  
Alexander Villinger ◽  
Jan von Langermann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Title Compound ◽  
Single Crystal Xrd ◽  
Butanoic Acid ◽  
Orthorhombic Crystal ◽  
Orthorhombic Crystal Structure ◽  
Space Group ◽  
Structure Space

This article provides the first single-crystal XRD-based structure of enantiopure (R)-baclofen (form C), C10H12ClNO2, without any co-crystallized substances. In the enantiopure title compound, the molecules arrange themselves in an orthorhombic crystal structure (space group P212121). In the crystal, strong hydrogen bonds and C—H ... Cl bonds interconnect the zwitterionic molecules.

Single-crystal XRD and solid-state NMR structural resolution of a layered fluorinated gallium phosphate: RbGa3(PO4)2(HPO4)F4·C5N2H16·2H2O (MIL-145)

2013 ◽  
Vol 42 (2) ◽  
pp. 422-431 ◽  
Author(s):  
Charlotte Martineau ◽  
Thierry Loiseau ◽  
Lionel Beitone ◽  
Gérard Férey ◽  
Boris Bouchevreau ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Solid State Nmr ◽  
Single Crystal Xrd ◽  
Gallium Phosphate

Synthesis, Crystal Structure and Antimicrobial Activity of Poly [bis-and#181;-3,5-dinitro-2-oxidobenzoato) (py) Cu II]

2020 ◽  
Vol 42 (6) ◽  
pp. 928-928
Author(s):  
Fouzia Chang Fouzia Chang ◽  
Najma Memon Najma Memon ◽  
Shahabuddin Memon Shahabuddin Memon ◽  
Muhammad Naeem Ahmed Muhammad Naeem Ahmed ◽  
Muhammad Nawaz Tahir Muhammad Nawaz Tahir ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Room Temperature ◽  
Central Metal Atom ◽  
Central Metal ◽  
Single Crystal Xrd ◽  
Monoclinic System ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

A novel Poly [bis-and#181;-3,5-dinitro-2-oxidobenzoato) (py) Cu II]/(C12H7CuN3O7) was synthesized by a self assemble method at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P 2 1/c with lattice parameters of a = 10.2143, b = 5.1651 and c = 26.608, α = 90, β = 99.720, γ = 90, Z = 4, V = 1383.60 (18) and#197;3.Pore size depicted from single crystal XRD data was 47and#197;. The central metal atom Cu (II) is coordinated with oxygen of carboxylates group and nitrogen atom of pyridine. The coordination polyhedron posses square pyramidal geometry is manifested by the N— Cu—O angle of 90o. The structure is composed of monomeric coordination units with the central copper (II) ion is not occupying a centre of symmetry.

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