Počet záznamov: 1
Synthesis, crystal and molecular structure of two biologically active aromatic sulfonamides and their hydrochloride salts
Názov Synthesis, crystal and molecular structure of two biologically active aromatic sulfonamides and their hydrochloride salts Aut.údaje Milan Remko ... [et al.] Autor Remko Milan (50%)
Ďalší autori Kožíšek Josef 1861-1933 (Autor) (25%)
Semanová Jana (Autor) (5%)
Gregáň Fridrich 1944- (Autor) (20%) UMBFP08 - Katedra chémie
Zdroj.dok. Journal of Molecular Structure. Vol. 973, no. 1-3 (2010), pp. 18-26. - Amsterdam : Elsevier B.V., 2010 Kľúč.slová aromatic sulfonamides syntéza - syntézy - synthesis X-ray structure DFT calculation PCM solvent effects Jazyk dok. angličtina Krajina Holandsko Systematika 54 Anotácia 4-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 Kategória publikačnej činnosti ADC Číslo archívnej kópie 15473 Kategória ohlasu 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.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika 
nerozpoznaný
Počet záznamov: 1