| Autor: |
Gomes LR; REQUIMTE, Departamento de Química e Bioquímica, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto, Portugal., Low JN, Wardell JL, Pinheiro AC, de Mendonça TC, de Souza MV |
| Jazyk: |
angličtina |
| Zdroj: |
Acta crystallographica. Section C, Crystal structure communications [Acta Crystallogr C] 2013 Mar; Vol. 69 (Pt 3), pp. 293-8. Date of Electronic Publication: 2013 Feb 16. |
| DOI: |
10.1107/S0108270113004344 |
| Abstrakt: |
The molecular conformations of three N-alkyl-2-(methylsulfanyl)nicotinamide derivatives, namely N-cyclohexyl-2-(methylsulfanyl)nicotinamide, C13H18N2OS, (I), N-isopropyl-2-(methylsulfanyl)nicotinamide, C10H14N2OS, (II), in which there are two molecules in the asymmetric unit which were chosen to form a hydrogen-bonded pair, and N-(2-hydroxyethyl)-2-(methylsulfanyl)nicotinamide dihydrate, C9H12N2O2S·2H2O, (III), are compared with those of four unsubstituted N-alkylnicotinamide compounds. The substituted compounds show a higher degree of torsion of the pyridine ring with respect to the amide group than do the unsubstituted compounds, with dihedral angles in the range 40-60° for the former and 20-35° for the latter. In (I) and (II), the supramolecular structure is defined by amide-N to carbonyl-O chains. In (III), the nicotinamide molecules are linked by hydrogen bonds to two water molecules resulting in two linked chains of rings which form the three-dimensional network. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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