Results 71 to 80 of about 56,351 (299)

N-{4-[4-(4-Fluorophenyl)-1-(2-methoxyethyl)-2-methylsulfanyl-1H-imidazol-5-yl]-2-pyridyl}-2-methyl-3-phenylpropionamide

Acta Crystallographica Section E, 2009
In the crystal structure of the title compound, C28H29FN4O2S, the imidazole ring makes dihedral angles of 11.85 (7), 73.33 (7) and 22.83 (8)° with the 4-fluorophenyl, pyridine and phenyl rings, respectively.
Stefan Laufer, Dieter Schollmeyer, Katharina Ziegler   +2 more
doaj   +1 more source

Unsupervised Hierarchical Symbolic Regression for Interpretable Property Modeling in Complex Multi‐Variable Systems

Advanced Science, EarlyView.
UHSR translates complex chemical behavior into clear and explainable equations. Applied to thin‐layer chromatography, it automatically uncovers the mathematical rules linking a molecule's structure to its polarity. This approach matches the accuracy of advanced AI while providing interpretable results, earning greater trust from chemists. The method is
Siyu Lou, Chengchun Liu, Dongxiao Zhang, Yuntian Chen, Fanyang Mo   +4 more
wiley   +1 more source

Crystal structure of ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate

Acta Crystallographica Section E, 2014
In the title compound, C15H20BrNO2, there are two independent molecules (A and B) comprising the asymmetric unit and these adopt very similar conformations.
Julio Zukerman-Schpector, I. Caracelli, Hélio A. Stefani, Amna N. Khan, Edward R. T. Tiekink   +4 more
doaj   +1 more source

Ultrahigh High‐temperature Capacitive Energy Storage Via Proton Irradiation

Advanced Science, EarlyView.
Proton irradiation concurrently induces enhanced dielectric constant and breakdown field in aromatic polymers with ether bonds, which enables an ultrahigh discharged energy density of 6.9 J cm−3 at above the efficiency of 95% at 150 °C, exceeding current dielectric polymers and nanocomposites.
Chenyi Li, Hanxiao Gao, Yutie Gong, Yen‐Ting Lin, Yuquan Liu, Yuanqi Wang, Lan Chen, Hangyao Wu, Ling Cheng, Yang Li, Yang Liu, Huamin Zhou   +11 more
wiley   +1 more source

2,5-Bis[4-(dimethylamino)phenyl]-3,6-dimethylpyrazine

Acta Crystallographica Section E, 2011
The title compound, C22H26N4, was prepared from p-dimethylaminopropiophenone in six steps. The molecule has no crystallographic symmetry. The dihedral angles between the pyrazine ring and the phenyl rings are 35.81 (6) and 37.11 (8 ...
Sebastian Moschel, Dieter Schollmeyer, Heiner Detert   +2 more
doaj   +1 more source

Halogen‐Bond Coupled Halogenated‐π‐Conjugation Enables Giant Birefringence in Hydrogen‐Bonded Organic Frameworks

Advanced Science, EarlyView.
The perfect crystal packing achieved via the halogen‐bond (XB) coupled halogenated‐π‐conjugation strategy effectively induces an ultrahigh birefringence (Δn = 0.97), which exhibits promising potential in polarization control and phase modulation.
Miao‐Bin Xu, Yun‐Xia Hu, Ming‐Chang Wang, Jia‐Jia Li, Jia‐Min Lian, Jin Chen, Ke‐Zhao Du   +6 more
wiley   +1 more source

Hidden Diradical: Conformational Switch for Solvatochromic NIR Emission With Unity Quantum Yield in Thiele's Hydrocarbon

Angewandte Chemie, EarlyView.
Halogen substitution controls a conformational switch between a folded closed‐shell and a flat singlet‐diradical conformer in an air‐stable Thiele‐diradical. This conformational switch allows for near‐unity photoluminescence quantum yield with a large Stokes shift, solvatochromism, and a long‐lived excited state.
Matteo Bevilacqua, Mattia Reato, Federico Cilento, Claudia Graiff, Sabrina Antonello, Luca Schio, Alessandro Aliprandi, Cristina Tubaro, Lorenzo Franco, Martina Dell'Angela, Dominik Munz, Marco Baron   +11 more
wiley   +2 more sources

Complexation and Structure Elucidation of the Axial Conformers of Mono- and (±)-trans-1,2-Disubstituted Cyclohexanes by Enantiopure Alleno-Acetylenic Cage Receptors

CHIMIA, 2018
Single crystal X-ray diffraction is a powerful method to unambiguously characterize the structure of molecules with atomic resolution.
Cornelius Gropp, Nils Trapp
doaj   +1 more source

Interplay of Backbone Conformation, Morphology and Thermoelectric Properties of Benzodifuranone‐Isatin Acceptor Polymers

Advanced Electronic Materials, EarlyView.
Modification of polymer backbone via halogenation and comonomer selection leads to conjugated backbones of different stereoelectronic properties, thin film morphologies, and electrical characteristics. The interplay of conformational isomerism, coplanarity, backbone curvature, backbone orientation, and ordering in thin films, electrical conductivity ...
Diego R. Hinojosa, Nathan J. Pataki, Francesca Pallini, Guillaume Freychet, Andreas Erhardt, Kevin Schuller, Selina Olthof, Klaus Meerholz, Christopher R. McNeill, Mario Caironi, Florian Günther, Michael Sommer   +11 more
wiley   +1 more source

Tellurophene‐Induced Triplet–Singlet Spin‐Flip Acceleration: An Advanced Design for Narrowband Organoboron Emitters with Fast Reverse Intersystem Crossing

Angewandte Chemie, EarlyView.
Linking an auxiliary dibenzo[b,d]tellurophene unit markedly accelerates exciton spin conversion in multi‐resonance‐type thermally activated delayed fluorescence emitters. Owing to the heavy‐atom effect of tellurium, the corresponding OLEDs retain remarkably high external electroluminescence quantum efficiencies exceeding 25% even at an exceptionally ...
Peiyuan Yang, Jun Hyeon Lee, Kotone Urano, Takuma Yasuda   +3 more
wiley   +2 more sources