Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-X-substituted anilines (X= F, Cl or Br)
نویسندگان
چکیده
منابع مشابه
Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases.
The crystal structures of quinolinium 3-carboxy-4-hydroxybenzenesulfonate trihydrate, C9H8N + C7H5O6S 3H2O, (I), 8-hydroxyquinolinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate, C9H8NO + C7H5O6S H2O, (II), 8-aminoquinolinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate, C9H9N2 + C7H5O6S 2H2O, (III), and 2-carboxyquinolinium 3-carboxy-4-hydroxybenzenesulfonate quinolinium-2-carboxylate, C1...
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The structures of the 1:1 anhydrous salts of nicotine (NIC) with 3,5-di-nitro-salicylic acid (DNSA) and 5-sulfosalicylic acid (5-SSA), namely (1R,2S)-1-methyl-2-(pyridin-3-yl)-1H-pyrrolidin-1-ium 2-carb-oxy-4,6-di-nitro-phenolate, C10H15N2 (+)·C7H3N2O7 (-), (I), and (1R,2S)-1-methyl-2-(pyridin-3-yl)-1H-pyrrolidin-1-ium 3-carb-oxy-4-hy-droxy-benzene-sulfonate, C10H15N2 (+)·C7H5O6S(-), (II), are ...
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A series of ring-shaped molecular complexes formed by H(3)N, HF and XY (X = Cl, Br and Y = F, Cl, Br) have been investigated at the MP2/aug-cc-pVTZ level of theory. Their optimized geometry, stretching mode, and interaction energy have been obtained. We found that each complex possesses two red-shifted hydrogen bonds and one red-shifted halogen bond, and the two hydrogen bonds exhibit strong co...
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15 صفحه اولNucleophilic or electrophilic interactions of C₂ with HX systems (X = F, Cl, Br).
Highly correlated ab initio wave functions within the MRCI approach are used in a comparative study of the interactions between C2 and the three hydrogen halides HX (X = F, Cl, Br). Test calculations are also presented using the UCCSD(T)-F12 approach. The asymptotic regions are investigated for different relative orientations of the two moieties. It is shown that the three systems C2 + HX are b...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section C Crystal Structure Communications
سال: 2005
ISSN: 0108-2701
DOI: 10.1107/s0108270104033451