Author/Authors :
Kansiz, Sevgi Samsun University - Faculty of Engineering - Department of Fundamental Sciences, Turkey , Dege, Necmi Ondokuz Mayıs University - Faculty of Arts and Sciences - Department of Physics, Turkey , Ozturk, Seyhan Ondokuz Mayıs University - Faculty of Arts and Sciences - Department of Chemistry, Turkey , Akdemir, Nesuhi Amasya University - Faculty of Arts and Sciences - Department of Chemistry, Amasya, Turkey , Tarcan, Erdoğan Kocaeli University - Faculty of Arts and Sciences - Department of Physics, Turkey , Arslanhan, Ali Kocaeli University - Faculty of Arts and Sciences - Department of Physics, Turkey , Saif, Eiad Department of Computer and Electronic Engineering Technology - Sana'a Community College, Sana'a, Yemen
Abstract :
The title compound, C12H9N3O4S, synthesized by condensation of 5-nitrothiophene-2-carbaldehyde and 2-methyl-3-nitroaniline, crystallizes in the orthorhombic space group P212121. In the molecule, the aromatic benzene and thiophene rings are twisted with respect to each other, making a dihedral angle of 23.16 (7)°. In the crystal, molecules are linked by intermolecular C—H⋯O hydrogen bonds into chains extending along the c-axis direction. Weak π–π stacking interactions along the a-axis direction provide additional stabilization of the crystal structure. The roles of the various intermolecular interactions 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.
Keywords :
thiophene , 5-nitrothiophen-2-yl , Schiff base , hydrogen bonding , Hirshfeld surface analysis , crystal structure
