Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline

KANSIZ S., Dege N., Öztürk S., Akdemir N., TARCAN E., Arslanhan A., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.77, ss.138-141, 2021 (ESCI, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 77
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1107/s2056989021000529
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.138-141
  • Anahtar Kelimeler: 5-nitrothiophen-2-yl, crystal structure, Hirshfeld surface analysis, hydrogen bonding, Schiff base, thiophene
  • Samsun Üniversitesi Adresli: Evet

Özet

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.