Abstract
The title compound, C12H9N3O4S, synthesized by condensation of 5-nitro-thio-phene-2-carbaldehyde and 2-methyl-3-nitro-aniline, crystallizes in the ortho-rhom-bic space group P212121. In the mol-ecule, the aromatic benzene and thio-phene rings are twisted with respect to each other, making a dihedral angle of 23.16 (7)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds into chains extending along the c-axis direction. Weak π-π stacking inter-actions along the a-axis direction provide additional stabilization of the crystal structure. The roles of the various inter-molecular inter-actions were clarified by Hirshfeld surface analysis, which reveals that the crystal packing is dominated by O⋯H (39%) and H⋯H (21.3%) contacts. The crystal studied was refined as a two-component inversion twin.
Highlights
The title compound, C12H9N3O4S, synthesized by condensation of 5-nitrothiophene-2-carbaldehyde and 2-methyl-3-nitroaniline, crystallizes in the orthorhombic space group P212121
The aromatic benzene and thiophene rings are twisted with respect to each other, making a dihedral angle of 23.16 (7)
The roles of the various intermolecular interactions were clarified by Hirshfeld surface analysis, which reveals that the crystal packing is dominated by OÁ Á ÁH (39%) and HÁ Á ÁH (21.3%) contacts
Summary
Bioactivity is an important topic, which includes many areas such as the synthesis of new drugs, creams, agricultural products and so on. In this respect, Schiff bases are organic molecules suitable for bioactivity applications because of the imine bond that increases the lipophilic character of the molecule. 5-Nitrothiophene-2-carboxaldehyde derivatives exhibit antibacterial properties (Foroumadi et al, 2003). This highly reactive molecule has been used in chemosensor applications (Ye et al, 2019). A new Schiff base, 2-methyl-3nitro-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline (I), was obtained in crystalline form from the reaction of 5-nitrothiophene-2-carbaldehyde with 2-methyl-3-nitroaniline
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