Crystal structures and properties of isomers of 3,5-dinitro-(4-acetylphenyl)aminobenzoyl (p-bromophenyl)amide |
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| Authors: | A P Korobko I V Levakova S V Krasheninnikov A I Stash N A Kon’kova V V Kuz’min N V Kozlova T A Korobko |
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| Institution: | (1) Karpov Research Institute of Physical Chemistry, Russian State Scientific Center, ul. Vorontsovo pole 10, Moscow, 103064, Russia |
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| Abstract: | The para and ortho isomers of 3,5-dinitro-(4-acetylphenyl)aminobenzoyl (p-bromophenyl)amide (I and II, respectively) are synthesized, and their physicochemical properties and structure are investigated. The para isomer I has a higher melting temperature and is less soluble in organic solvents as compared to the ortho isomer II. The electronic absorption spectra indicate that absorption for molecule I occurs at longer wavelengths than for molecule II. A correlation between the physicochemical properties and the crystal structures of compounds I and II is revealed. Crystals I · 0.5C6H6 are triclinic; the unit cell parameters are a = 11.760(2) Å, b = 13.958(3) Å, c = 15.012(3) Å, α = 108.01(2)°, β = 103.95(1)°, γ = 92.00(2)°, V = 2258.3(8) Å3, space group $P\bar 1$ , and Z = 4. Crystals II are monoclinic; the unit cell parameters are a = 9.302(2) Å, b = 16.380(3) Å, c = 13.480(3) Å, β = 100.09(3)°, V = 2022.1(7) Å3, space group P21/c, and Z = 4. Structures I · 0.5C6H6 and II are characterized by intramolecular and intermolecular hydrogen bonds. |
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