Results 1 to 10 of about 287,848 (276)

An unexpected oxidation : NaK5Cl2(S2O6)2 revisited [PDF]

, 2017
Acknowledgements We thank the EPSRC National Crystallography Service (University of Southampton) for the X-ray data collection.Peer reviewedPublisher ...
Harrison, W. T. A., Plater, M. J.
core   +12 more sources

Quantum crystallographic charge density of urea [PDF]

, 2016
Standard X-ray crystallography methods use free-atom models to calculate mean unit cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models.
Wall, Michael E.
core   +14 more sources

The Photovoltaic Performance of Sensitizers for Organic Solar Cells Containing Fluorinated Chalcones with Different Halogen Substituents

Crystals, 2021
Two newly halogenated chalcones, derivatives of C15H10ClFO (CH-ClF) and C15H10F2O (CH-FF), were synthesized using the Claisen–Schmidt condensation method.
Siti Nabilla Aliya Mohd Nizar, Siti Noor Farhana Ab Rahman, Muhamad Fikri Zaini, Ainizatul Husna Anizaim, Ibrahim Abdul Razak, Suhana Arshad   +5 more
doaj   +1 more source

(E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-([2,2′-bithiophen]-5-yl)prop-2-en-1-one: crystal structure, UV–Vis analysis and theoretical studies of a new π-conjugated chalcone

Acta Crystallographica Section E: Crystallographic Communications, 2019
In the title compound, C18H12O3S2, synthesized by the Claisen–Schmidt condensation method, the essentially planar chalcone unit adopts an s-cis configuration with respect to the carbonyl group within the ethylenic bridge.
Ainizatul Husna Anizaim, Muhamad Fikri Zaini, Muhammad Adlan Laruna, Ibrahim Abdul Razak, Suhana Arshad   +4 more
doaj   +1 more source

Structural, Hirshfeld and DFT studies of conjugated D–π–A carbazole chalcone crystal

Acta Crystallographica Section E: Crystallographic Communications, 2020
A new conjugated carbazole chalcone compound, (E)-3-[4-(9,9a-dihydro-8aH-carbazol-9-yl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one (CPNC), C27H18N2O3, was synthesized using a Claisen–Schmidt condensation reaction.
Muhamad Fikri Zaini, Ibrahim Abdul Razak, Wan Mohd Khairul, Suhana Arshad   +3 more
doaj   +1 more source

Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2019
The asymmetric unit of the title halogenated chalcone derivative, C15H10BrFO, contains two independent molecules, both adopting an s-cis configuration with respect to the C=O and C=C bonds. In the crystal, centrosymmetrically related molecules are linked
Muhamad Fikri Zaini, Ibrahim Abdul Razak, Mohamad Zahid Anis, Suhana Arshad   +3 more
doaj   +1 more source

X-ray Crystallography

, 2013
A poster made for display in a school showing applications of X-ray crystallography.
José A. Brito, Margarida Archer
  +4 more sources

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

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

Acta 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, Ibrahim Abdul Razak, Suhana Arshad   +2 more
doaj   +1 more source

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

Acta 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, Ibrahim Abdul Razak, Suhana Arshad   +2 more
doaj   +1 more source