Results 41 to 50 of about 2,064,816 (279)

Crystal structure and optical spectroscopic analyses of (E)-3-(1H-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one hemihydrate

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2018
The asymmetric unit of the title compound, 2C17H12N2O3·H2O comprises two molecules of (E)-3-(1H-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one and a water molecule. The main molecule adopts an s-cis configuration with respect to the C=O and C=C bonds.
Muhamad Fikri Zaini   +3 more
doaj   +1 more source

Protein Crystallization for X-ray Crystallography [PDF]

open access: yesJournal of Visualized Experiments, 2011
Using the three-dimensional structure of biological macromolecules to infer how they function is one of the most important fields of modern biology. The availability of atomic resolution structures provides a deep and unique understanding of protein function, and helps to unravel the inner workings of the living cell.
Moshe Dessau, Yorgo Modis
openaire   +3 more sources

PyNX: high performance computing toolkit for coherent X-ray imaging based on operators [PDF]

open access: yesJournal of Applied Crystallography 53 (2020),1404-1413, 2020
The open-source PyNX toolkit [Favre-Nicolin et al (2011) arXiv:1010.2641, Mandula et al (2016)] has been extended to provide tools for coherent X-ray imaging data analysis and simulation. All calculations can be executed on graphical processing units (GPU) to achieve high performance computing speeds.
arxiv   +1 more source

MicroED data collection and processing. [PDF]

open access: yes, 2015
MicroED, a method at the intersection of X-ray crystallography and electron cryo-microscopy, has rapidly progressed by exploiting advances in both fields and has already been successfully employed to determine the atomic structures of several proteins ...
de la Cruz, M Jason   +6 more
core   +1 more source

Conformational dimorphism of 2,2′-methylenebis(isoindoline-1,3-dione)

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2019
In this study, a new monoclinic polymorph (space group C2/c) of 2,2′-methylenebis(isoindoline-1,3-dione), C17H10N2O4, is reported and compared to the previously reported triclinic polymorph (space group P\overline{1}).
Tze Shyang Chia   +7 more
doaj   +1 more source

Variability in X-ray induced effects in [Rh(COD)Cl]2 with changing experimental parameters [PDF]

open access: yes, 2022
X-ray characterisation methods have undoubtedly enabled cutting-edge advances in all aspects of materials research. Despite the enormous breadth of information that can be extracted from these techniques, the challenge of radiation-induced sample change and damage remains prevalent.
arxiv   +1 more source

X-Ray Crystallography of Viruses

open access: yes, 2013
For about 30 years X-ray crystallography has been by far the most powerful approach for determining virus structures at close to atomic resolutions. Information provided by these studies has deeply and extensively enriched and shaped our vision of the virus world.
Verdaguer, Núria   +2 more
openaire   +4 more sources

Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2019
A new polymorphic form of the title compound, C8H8O3, is described in the centrosymmetric monoclinic space group P21/c with Z′ = 1 as compared to the first polymorph, which crystallizes with two conformers (Z′ = 2) in the asymmetric unit in the same ...
Tze Shyang Chia   +4 more
doaj   +1 more source

Benzofuranyl Esters: Synthesis, Crystal Structure Determination, Antimicrobial and Antioxidant Activities

open access: yesMolecules, 2015
A series of five new 2‐(1‐benzofuran‐2‐yl)‐2‐oxoethyl 4-(un/substituted)benzoates 4(a–e), with the general formula of C8H5O(C=O)CH2O(C=O)C6H4X, X = H, Cl, CH3, OCH3 or NO2, was synthesized in high purity and good yield under mild conditions.
C. S. Chidan Kumar   +9 more
doaj   +1 more source

Spotlight on Alkali Metals: The Structural Chemistry of Alkali Metal Thallides

open access: yesCrystals, 2020
Alkali metal thallides go back to the investigative works of Eduard Zintl about base metals in negative oxidation states. In 1932, he described the crystal structure of NaTl as the first representative for this class of compounds.
Stefanie Gärtner
doaj   +1 more source

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