Results 1 to 10 of about 12,872 (188)
Exploring Orthogonality between Halogen and Hydrogen Bonding Involving Benzene
Molecules, 2021 The concept of orthogonality between halogen and hydrogen bonding, brought out by Ho and coworkers some years ago, has become a widely accepted idea within the chemists’ community. While the original work was based on a common carbonyl oxygen as acceptor
Alessandra Forni +4 more
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Molecules, 2021 Structures of three tetrahalophthalic anhydrides (TXPA: halogen = Cl (TCPA), Br (TBPA), I (TIPA)) were studied by X-ray diffraction, and several types of halogen bonds (HaB) and lone pair···π-hole (lp···πh) contacts were revealed in their structures ...
Sergey V. Baykov +4 more
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Catecholase-Like Activity and Theoretical Study in Solid State of a New Ru(III)-Schiff Base Complex
Acta Chimica Slovenica, 2021 A new ruthenium(III) complex of molecular formula [Ru(PPh3)Cl2(L)] (1) has been synthesized using the Schiff base ligand obtained from 5-chlorosalicylaldehyde and N,N-dimethylethylenediamine, and characterized by FT-IR, UV-Vis, cyclic voltammetry and ...
Niladri Biswas +4 more
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Site Selectivity of Halogen Oxygen Bonding in 5- and 6-Haloderivatives of Uracil
Crystals, 2019 Seven 5-and 6-halogenated derivatives of uracil or 1-methyluracil (halogen = Cl, Br, I) were studied by single crystal X-ray diffraction. In contrast with pure 5-halouracils, where the presence of N-H⋯O and C-H⋯O hydrogen bonds prevents the formation of ...
Gustavo Portalone
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Molecules, 2020 Periodic local vibrational modes were calculated with the rev-vdW-DF2 density functional to quantify the intrinsic strength of the X-I⋯OA-type halogen bonding (X = I or Cl; OA: carbonyl, ether and N-oxide groups) in 32 model systems originating from 20 ...
Yunwen Tao +5 more
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Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs
Crystals, 2012 Oxidation of 3,4-ethylenedithio-3'-iodo-tetrathiafulvalene (EDT-TTF-I) and 3,4-ethylenedithio-3',4'-diiodo-tetrathiafulvalene (EDT-TTF-I2) with DDQ afforded two different salts formulated as (EDT-TTF-I)(DDQ) and (EDT-TTF-I2)2(DDQ)·(CH3CN),
Marc Fourmigué +4 more
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Molecules, 2021 Although natural or artificial modified pyrimidine nucleobases represent important molecules with valuable properties as constituents of DNA and RNA, no systematic analyses of the structural aspects of bromo derivatives of cytosine have appeared so far ...
Massimiliano Aschi +2 more
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N-Acetyl-N-{2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]phenyl}acetamide
Acta Crystallographica Section E, 2009 The title compound, C13H11ClF3NO2, adopts a Z conformation. Halogen...oxygen interactions [Cl...O = 2.967 (3) Å] in the crystal packing lead to the formation of a dimer joined by two Cl...O bonds.
Jia-Jia Niu, Zhi-Gang Li, Jing-Wei Xu
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IUCrData, 2016 The title compound, C8H4INO2, has a single planar molecule in the asymmetric unit, with the non-H atoms possessing a mean deviation from planarity of 0.058 Å. The molecules dimerize in the solid state through N—H...O hydrogen bonds.
James A. Golen, David R. Manke
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5,6-Dibromo-1H-indole-2,3-dione
IUCrData, 2017 The title compound, C8H3Br2NO2, crystallizes with two near planar molecules in the asymmetric unit, with non-H atoms possessing mean deviations from planarity of 0.012 and 0.014 Å. The two molecules are connected by an N—H...O and a C—H...O hydrogen bond.
James A. Golen, David R. Manke
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