Results 71 to 80 of about 19,829 (269)
Acta Crystallographica Section E: Crystallographic Communications, 2016 In the title compound, C23H14ClFO, the enone moiety adopts an E conformation. The dihedral angle between the benzene and anthracene ring is 63.42 (8)° and an intramolecular C—H...F hydrogen bond generates an S(6) ring motif. In the crystal, molecules are
Amzar Ahlami Abdullah +4 more
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Acta Crystallographica Section E: Crystallographic Communications, 2020 The title compound, C10H8ClNO5S, which has potential analgesic activity, crystallizes in space group P21/n. The benzothiazine ring system adopts an intermediate form between sofa and twist-boat conformations.
Svitlana V. Shishkina +4 more
doaj +1 more source
The Conformational Space of a Flexible Amino Acid at Metallic Surfaces
, 2020 In interfaces between inorganic and biological materials relevant for technological applications, the general challenge of structure determination is exacerbated by the high flexibility of bioorganic components, chemical bonding, and charge rearrangement
Baldauf, Carsten +2 more
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Advanced Science, EarlyView.Increasing nanocurvature effectively enriches the local electron density of the M–N4 motif, which facilitates electron transfer from the metal center to nitrogen atoms. This electronic behavior intensifies the localization and asymmetric distribution of charge, thereby significantly amplifying the dipole moment and polarizability.
Daohu Sheng +7 more
wiley +1 more source
Doping of Graphene Nanoribbons via Functional Group Edge Modification
, 2017 We report on the on-surface synthesis of 7 armchair graphene nanoribbons (7-AGNRs) substituted with nitrile (CN) functional groups. The CN groups are attached to the GNR backbone by modifying the 7-AGNR precursor.
Abadia, Mikel +11 more
core +1 more source
Advanced Science, EarlyView.This work reports a strategy of engineering charge‐assisted hydrogen bonds to tailor charge transfer channels in HOFs, significantly improving their performance in photocatalytic H2O2 production. ABSTRACT The production of H2O2 via artificial photosynthesis is often limited by inefficient charge‐carrier separation, causing significant charge ...
Yajun Zhao +7 more
wiley +1 more source
Gradient-Driven Molecule Construction: An Inverse Approach Applied to the Design of Small-Molecule Fixating Catalysts [PDF]
, 2014 Rational design of molecules and materials usually requires extensive screening of molecular structures for the desired property. The inverse approach to deduce a structure for a predefined property would be highly desirable, but is, unfortunately, not ...
Reiher, Markus, Weymuth, Thomas
core +1 more source
Synthesis, crystal structure and Hirshfeld surface analysis of 5-cyclopropyl-N-(2-hydroxyethyl)-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide [PDF]
, 2021 Nazariy T. Pokhodylo +2 more
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Hirshfeld surface analysis and crystal structure of N-(2-methoxyphenyl)acetamide [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2019 The title compound, C9H11NO2, was obtained as unexpected product from the reaction of (4-{2-benzyloxy-5-[(E)-(3-chloro-4-methylphenyl)diazenyl]benzylidene}-2-phenyloxazol-5(4H)-one) with 2-methoxyaniline in the presence of acetic acid as solvent. The amide group is not coplanar with the benzene ring, as shown by the C—N—C—O and C—N—C—C torsion angles ...
Mavise Yaman +5 more
openaire +4 more sources
Synthesis, crystal structure and Hirshfeld surface analysis of tert-butyl N-acetylcarbamate
Acta Crystallographica Section E Crystallographic Communications, 2022 This article reports a practical synthesis of tert-butyl acetylcarbamate, C7H13NO3, from N-Boc-thioacetamide and the study of its crystal structure. The reaction proceeds in the presence of natural phosphate as a catalyst, with excellent yield, simple workup and benign environment.
El Mestehdi, Aly Dawa +7 more
openaire +3 more sources