In the title compound, C20H17NO, the dihedral angle between the mean planes of the 4-meth-oxy-phenyl ring and the naphthalene ring is 69.50 (7)°. The meth-oxy group is almost coplanar with the benzene ring to which it is connected [Cb-Cb-Om-Cm torsion angle of -7.9 (2)°; b = benzene and m = meth-oxy] and the imine group displays a C-C-N=C torsion angle is -57.2 (2)°. The imine (C=N) group has an E conformation. In the crystal, weak π-π inter-actions between the benzene rings [centroid-centroid distance = 3.7781 (10) Å] are observed.
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http://dx.doi.org/10.1107/S1600536814022521 | DOI Listing |
IUCrdata
December 2024
School of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban, 4000, South Africa.
The cation of the title salt, CHNO ·Br, has a dihedral angle of 24.26 (6)° between its fused imidazole and 4-nitro-phenyl rings and the N-C-C-O torsion angle associated with the hy-droxy-ethyl substituent is 60.15 (17)°.
View Article and Find Full Text PDFProteins
January 2025
Department of Biotechnology, Maulana Abul Kalam Azad University of Technology, Haringhata, India.
The structural plasticity of proteins at the molecular level is largely dictated by backbone torsion angles, which play a critical role in ligand recognition and binding. To establish the anion-induced cooperative arrangement of the main-chain (mc) torsion, herein, we analyzed a set of naturally occurring CαNN motifs as "static models" for their anion-binding competence through docking and molecular dynamics simulations and decoded its torsion angle influenced mc-driven anion recognition potential. By comparing a pool of 20 distinct sets of CαNN motif with identical sequences in their "anion bound/present, aP" and "anion free/absent, aA" versions, we could discern that there exists a positive correlation between the "difference of anion residence time (ΔR)" and "difference among the main-chain torsion angle" of the aP and aA population.
View Article and Find Full Text PDFBioinformatics
January 2025
Université Paris Saclay, Univ Evry, IBISC, Evry-Courcouronnes, 91020, France.
Motivation: Predicting the 3D structure of RNA is an ongoing challenge that has yet to be completely addressed despite continuous advancements. RNA 3D structures rely on distances between residues and base interactions but also backbone torsional angles. Knowing the torsional angles for each residue could help reconstruct its global folding, which is what we tackle in this work.
View Article and Find Full Text PDFMicromachines (Basel)
November 2024
School of Nano-Tech and Nano-Bionics, University of Science and Technology of China, Hefei 230026, China.
The MEMS scanning micromirror requires angle sensors to provide real-time angle feedback during operation, ensuring a stable and accurate deflection of the micromirror. This paper proposes a method for integrating piezoresistive sensors on the torsion axis of electrostatic MEMS micromirrors to detect the deflection angle. The design uses a multi-layer bonding process to realize a vertical comb-driven structure.
View Article and Find Full Text PDFJ Clin Med
December 2024
Pediatric Orthopedics, Hadassah-Hebrew University Medical Center, Jerusalem 9112001, Israel.
: Femoral torsional malalignment is a common cause of in-toeing and out-toeing in children, often leading to gait disturbances, functional limitations, and increased risk of falls. Traditionally, osteotomy was the only surgical option for correction. A minimally invasive technique known as rotational guided growth (RGG) has recently been introduced to address these malalignments.
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