Results 31 to 40 of about 2,064,816 (279)

(E)-1,3-Bis(anthracen-9-yl)prop-2-en-1-one: crystal structure and DFT study

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title compound, C31H20O, was synthesized using a Claisen–Schmidt condensation. The enone group adopts an s-trans conformation and the anthracene ring systems are twisted at angles of 85.21 (19) and 83.98 (19)° from the enone plane.
Dian Alwani Zainuri, Ibrahim Abdul Razak, Suhana Arshad   +2 more
doaj   +1 more source

Crystal structures of di-μ-chlorido-bis({(E)-5-(ethylamino)-4-methyl-2-[(pyridin-2-yl)diazenyl]phenolato}copper(II)) and chloridobis(1,10-phenanthroline)copper(II) chloride tetrahydrate

Acta Crystallographica Section E: Crystallographic Communications, 2023
The dark-red title complex crystallized from an equimolar methanol solution of (E)-5-(ethylamino)-4-methyl-2-[(pyridin-2-yl)diazenyl]phenol and CuCl2(phen) (phen = 1,10-phenanthroline) as a centrosymmetric dimer, [CuCl(C14H15N4O)]2.
Alex Meier, Mohammad Rasel Mian, Siyu Ou, Scott Lovell, Minae Mure   +4 more
doaj   +1 more source

Fourier-transform Ghost Imaging with Hard X-rays [PDF]

Phys. Rev. Lett. 117, 113901 (2016), 2016
Knowledge gained through X-ray crystallography fostered structural determination of materials and greatly facilitated the development of modern science and technology in the past century. Atomic details of sample structures is achievable by X-ray crystallography, however, it is only applied to crystalline structures.
arxiv   +1 more source

O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group [PDF]

, 2014
X-ray crystallography and solid-state NMR measurements show that protonation of a series of 1-dimethylaminonaphthalene-8-ketones leads either to O protonation with formation of a long N–C bond (1.637–1.669 Å) between peri groups, or to N protonation and ...
Allen, Andrew Jarmyn, Barbour, Bell, Chen, Claire Wilson, Clark, Coles, Dyker, Fletcher, Frey, Giavani, Gobetto, Gregory J. Rees, Gu, Gu, Hojo, Houk, John D. Wallis, John V. Hanna, Kiefl, Lari, Macrae, Martin, Mateusz B. Pitak, Meot-Ner, Murray-Rust, Nerea Mercadal, O'Leary, Penner, Rees, Schuster, Schweizer, Sheldrick, Simon J. Coles, Steiner, Stephen P. Day, Stoyanov, Taylor, Tkatchenko   +39 more
core   +2 more sources

X-ray crystallography of TRP channels [PDF]

Channels, 2018
Transient receptor potential (TRP) ion channels are molecular sensors of a large variety of stimuli including temperature, mechanical stress, voltage, small molecules including capsaicin and menthol, and lipids such as phosphatidylinositol 4,5-bisphosphate (PIP2).
Appu K. Singh, Luke L. McGoldrick, Kei Saotome, Alexander I. Sobolevsky   +3 more
openaire   +3 more sources

The LBFGS Quasi-Newtonian Method for Molecular Modeling Prion AGAAAAGA Amyloid Fibrils [PDF]

, 2012
Experimental X-ray crystallography, NMR (Nuclear Magnetic Resonance) spectroscopy, dual polarization interferometry, etc are indeed very powerful tools to determine the 3-Dimensional structure of a protein (including the membrane protein); theoretical ...
Hou, Yating, Wang, Changyu, Wang, Yiju, Zhang, Jiapu, Zhang, Xiangsun   +4 more
core   +3 more sources

Crystal structure and optical properties of fused-ring chalcone (E)-3-(anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2019
The title compound, C23H15NO3, adopts an s-cis conformation with respect to the ethylene C=C and carbonyl C=O double bonds in the enone unit. The molecule is significantly twisted with a dihedral angle of 48.63 (14)° between the anthracene ring system ...
Muhamad Fikri Zaini, Ibrahim Abdul Razak, Wan Mohd Khairul, Suhana Arshad   +3 more
doaj   +1 more source

X-ray pixel detector for crystallography [PDF]

IEEE Transactions on Nuclear Science, 2001
For X-ray diffraction experiments, the required dynamic range is a challenge. The signal ranges usually over more than six orders of magnitude. To meet this requirement and to reduce the readout time with respect to the commonly used charge-coupled device camera, a dedicated hybrid pixel detector is under development.
Delpierre, P., Berar, J.F., Blanquart, L., Caillot, B., Clemens, J.C., Mouget, C.   +5 more
openaire   +4 more sources

The first mononuclear PtIII complex. Molecular structures of (NBu4)[PtIII(C6Cl5)4] and of its parent compound {NBu4}2[PtII(C6Cl5)4]·2CH2Cl2 [PDF]

, 1984
(NBu4)[PtIII(C6Cl5)4], fully characterized by crystallographic, spectral, and magnetic measurements has been isolated by oxidation with halogens or TICl3 of the parent compound (NBu4)2[PtII(C6CL5)4], which has also been analysed by X-ray ...
Bau, Robert, Forniés, Juan, Menjón, Babil, Sünkel, Karlheinz, Tomás, Milagros, Usón, Rafael   +5 more
core   +1 more source

Towards the spatial resolution of metalloprotein charge states by detailed modeling of XFEL crystallographic diffraction. [PDF]

, 2020
Oxidation states of individual metal atoms within a metalloprotein can be assigned by examining X-ray absorption edges, which shift to higher energy for progressively more positive valence numbers.
Holton, James M, Kern, Jan, Sauter, Nicholas K, Yano, Junko   +3 more
core   +2 more sources