Nirmala K A, Chopra Deepak, Mohan S, Saravanan J
Vivekananda Degree College, Bangalore 560 055, Karnataka, India.
Acta Crystallogr C. 2004 Sep;60(Pt 9):o636-8. doi: 10.1107/S0108270104016014. Epub 2004 Aug 11.
The compounds 2-[[(E)-(4-methoxyphenyl)methylene]amino]-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, C24H24N2O2S, (I), and N-(4-methylphenyl)-2-[[(E)-(4-methylphenyl)methylene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, C24H24N2OS, (II), show antibacterial and antifungal activities. The m-toluidine ring in (I) and the p-toluidine ring in (II) are coplanar with their respective thiophene rings. In (I), an intermolecular C-H...O hydrogen bond is present, whereas (II) does not exhibit any significant intermolecular interactions. However, in both compounds, an intramolecular N-H.N hydrogen bond forms a pseudo-six-membered ring, thus locking the molecular conformation and eliminating conformational flexibility.
化合物2-[[(E)-(4-甲氧基苯基)亚甲基]氨基]-N-(3-甲基苯基)-4,5,6,7-四氢-1-苯并噻吩-3-甲酰胺，C24H24N2O2S，(I)，以及N-(4-甲基苯基)-2-[[(E)-(4-甲基苯基)亚甲基]氨基]-4,5,6,7-四氢-1-苯并噻吩-3-甲酰胺，C24H24N2OS，(II)，具有抗菌和抗真菌活性。(I)中的间甲苯胺环和(II)中的对甲苯胺环与其各自的噻吩环共面。在(I)中，存在分子间C-H...O氢键，而(II)未表现出任何显著分子间相互作用。然而，在这两种化合物中，分子内N-H.N氢键形成一个假六元环，从而锁定分子构象并消除构象灵活性。
