Results 11 to 20 of about 286,921 (208)

Molecular structure, DFT studies and UV–Vis absorption of two new linear fused ring chalcones: (E)-1-(anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2018
The title compounds, C24H18O2 and C24H17FO2, were synthesized using the Claisen–Schmidt condensation method and characterized by UV–Vis spectroscopy. Weak intermolecular C—H...O, C—H...π and π–π hydrogen-bonding interactions help to stabilize the crystal
Dian Alwani Zainuri   +2 more
doaj   +1 more source

Crystal structure, spectroscopic characterization and DFT study of two new linear fused-ring chalcones

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2018
The structures of two new anthracenyl chalcones, namely (E)-1-(anthracen-9-yl)-3-(4-nitrophenyl)prop-2-en-1-one, C23H15NO3, and (E)-1-(anthracen-9-yl)-3-(4-iodophenyl)prop-2-en-1-one, C23H15IO are reported.
Dian Alwani Zainuri   +2 more
doaj   +1 more source

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

open access: yes, 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   +4 more
core   +3 more sources

Crystal structures, DFT studies and UV–visible absorption spectra of two anthracenyl chalcone derivatives

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2018
The crystal structures of (E)-1-(anthracen-9-yl)-3-(3H-indol-2-yl)prop-2-en-1-one, C25H17NO, and (E)-1-(anthracen-9-yl)-3-[4-(dimethylamino)naphthalen-1-yl]prop-2-en-1-one, C29H23NO, are reported.
Dian Alwani Zainuri   +2 more
doaj   +1 more source

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

open access: yes, 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   +5 more
core   +1 more source

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

open access: yesActa 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   +2 more
doaj   +1 more source

Molecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2018
The molecular and crystal structure of two new chalcone derivatives, (E)-1-(anthracen-9-yl)-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one, C28H25NO, (I), and (E)-1-(anthracen-9-yl)-3-[4-(diphenylamino)phenyl]prop-2-en-1-one, C35H25NO, (II), with the fused ...
Dian Alwani Zainuri   +2 more
doaj   +1 more source

Development of powder diffraction apparatus for small-angle X-ray scattering measurements [PDF]

open access: yes, 2013
A novel type of X-ray collimation system attached to commercial powder diffractometers makes the structural characterization of nanomaterials possible in a wide size range from
Attila Bóta   +7 more
core   +1 more source

Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (E)-1-(anthracen-9-yl)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-[4-(9H-carbazol-9-yl)phenyl]prop-2-en-1-one

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2018
The title chalcones, C31H23NO and C35H23NO, were synthesized via Claisen–Schmidt condensation reactions. Both structures were solved and refined using single-crystal X-ray diffraction data and optimized at the ground state using the density functional ...
Dian Alwani Zainuri   +2 more
doaj   +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

Home - About - Disclaimer - Privacy