1-(2-Furoyl)-3-(2-methoxy-4-nitrophenyl)thiourea
Acta Crystallographica Section E, 2013 The asymmetric unit of the title compound, C13H11N3O5S, contains two independent molecules, which are linked by a pair of intermolecular N—H...S hydrogen bonds, forming an R22(8) ring motif.
Ray J. Butcher +4 more
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Naive Prediction of Protein Backbone Phi and Psi Dihedral Angles Using Deep Learning. [PDF]
Molecules, 2023 Broz M, Jukič M, Bren U.
europepmc +1 more source
On Dihedral Angles of a Simplex
Journal of Mathematics Research, 2013 For an $n$-simplex, let $\alpha,\,\beta$ denote the maximum, and the minimum dihedral angles of the simplex, respectively. It is proved that the inequality $\alpha\le \arccos(1/n)\le \beta$ always holds, and either side equality implies that the $n$-simplex is a regular simplex.
openaire +2 more sources
Advanced Energy Materials, EarlyView.The molecular design strategy that integrates both side chain and backbone engineering in diketopyrrolopyrrole‐based conjugated polymers to identify the optimal balance between doping efficiency and microstructural order is demonstrated. Comprehensive spectroscopic, electrochemical, morphological, and structural characterizations reveal that the ...
Taewoong Han +13 more
wiley +1 more source
Construction of a Two‐Dimensional Molecular Slab with a π‐Extended Hexaarylbenzene Molecule
Angewandte Chemie, EarlyView.A 3D shape‐persistent molecule with a hexaarylbenzene structure consisting of six naphthothiophene diimide units enables the formation of a 2D molecular slab in the solid state, leading to a 2D interactive electronic structure suitable for application to n‐type organic field‐effect transistors.
Haruki Sanematsu +3 more
wiley +2 more sources
1-Benzhydryl-4-(4-chlorophenylsulfonyl)piperazine
Acta Crystallographica Section E, 2008 The title compound, C23H23ClN2O2S, was synthesized by the nucleophilic substitution of 1-benzhydrylpiperazine with 4-chlorophenylsulfonyl chloride. The piperazine ring is in a chair conformation.
K. S. Rangappa +5 more
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Getting 'ϕψχal' with proteins: minimum message length inference of joint distributions of backbone and sidechain dihedral angles. [PDF]
Bioinformatics, 2023 Amarasinghe PR +5 more
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Piezoelectric Origami Metamaterials for Enhanced Handwriting Recognition and Trajectory Tracking
Advanced Intelligent Discovery, EarlyView.This study introduces origami metamaterials inspired by Kresling piezoelectric generators to enhance biometric authentication and handwriting trajectory recognition. Overcoming sensor limitations in conventional devices, the design enables multichannel data acquisition with fewer sensors, utilizing machine learning to accurately identify content ...
Yinzhi Jin, Ting Tan, Zhimiao Yan
wiley +1 more source
Ethyl 3-methyl-1-phenyl-5-(p-tolyl)-1H-pyrazole-4-carboxylate
IUCrData, 2016 In the title compound, C20H20N2O2, the pyrazole ring makes dihedral angles of 39.74 (8) and 60.35 (8)° with the phenyl and toluene rings, respectively. The dihedral angle between the phenyl and toluene rings is 62.01 (7)°.
S. Naveen +5 more
doaj +1 more source
Dataset of normalized probability distributions of virtual bond lengths, bond angles, and dihedral angles for the coarse-grained single-stranded DNA structures. [PDF]
Data Brief, 2022 Qian JL, Sun LZ.
europepmc +1 more source