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Synthesis, crystal and molecular structure of two biologically active aromatic sulfonamides and their hydrochloride salts

  1. TitleSynthesis, crystal and molecular structure of two biologically active aromatic sulfonamides and their hydrochloride salts
    Author infoMilan Remko ... [et al.]
    Author Remko Milan (50%)
    Another authors Kožíšek Josef 1861-1933 (Author) (25%)
    Semanová Jana (Author) (5%)
    Gregáň Fridrich 1944- (Author) (20%) UMBFP08 - Katedra chémie
    Source document Journal of Molecular Structure. Vol. 973, no. 1-3 (2010), pp. 18-26. - Amsterdam : Elsevier B.V., 2010
    Keywords aromatic sulfonamides   syntéza - syntézy - synthesis   X-ray structure   DFT calculation   PCM solvent effects  
    LanguageEnglish
    CountryNetherlands
    systematics 54
    Annotation4-Sulfamoyl-N-(3-morpholinopropyl) benzamide (P10), N-(3-morpholinopropyl)benzene-1,4-disulfonamide (P20) and their hydrochloride salts (P11 and P22) were prepared. The X-ray molecular structure of these compounds was determined. The gas-phase structure of these drugs was computed using Becke3LYP/ 6-31G(d) and Becke3LYP/6-311 + G(d,p) model chemistries. The conformational behavior of these systems in water was examined using the solvation CPCM model. In the solid state, gas phase and in solution the conformations of the basic compounds P10 and P20 possess a characteristic L-shaped structure stabilized via an intramolecular hydrogen bonding system of the NAH N type. This hydrogen bond is not present in P11 and P22. A network of intermolecular hydrogen bonds mediated by the Cl atoms and crystal-packing forces in P11 and P22 stabilize a more extended structure in the solid state
    Public work category ADC
    No. of Archival Copy15473
    Repercussion category FERNANDES, William B. - ARAGAO, Angelo Q. - MARTINS, Felipe T. - NODA-PEREZ, Caridad - LARIUCCI, Carlito - NAPOLITANO, Hamilton B. The discrete role of chlorine substitutions in the conformation and supramolecular architecture of arylsulfonamides. In Acta Crystallographica section c-crystal structure communications. ISSN 0108-2701, 2011, vol. 67, pp. O226-O229.
    DE CASTRO, Mirian R. C. - ARAGAO, Angelo Q. - NAPOLITANO, Hamilton B. - NODA-PEREZ, Caridad - MARTINS, Felipe T. An additional methylene group driving the conformation and assembly of two arylsulfonamide para-alkoxychalcone hybrids. In Acta Crystallographica section c-crystal structure communications. ISSN 0108-2701, 2013, vol. 69, pp. 267-U185.
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    ReferencesPERIODIKÁ-Súborný záznam periodika
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Number of the records: 1  

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