Crystal structure and Hirshfeld surface analysis of (E)-N-(4-propyloxybenzylidene)benzo[d]thiazol-2-amine

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Mohamad R. A. S., Hamad W. M., Aziz H. J., DEGE N.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.76, ss.1591-1599, 2020 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 76
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1107/s2056989020012128
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1591-1599
  • Anahtar Kelimeler: crystal structure, heterocyclic compound, 2-aminobenzothiazole, Schiff base, Hirshfeld surface
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The title compound, C17H16N2OS, was synthesized by a condensation reaction between 2-amino benzothiazole and 4-N-propoxybenz aldehyde. The benzo[d]thiazole ring system is nearly planar (r.m.s. deviation 0.0088 angstrom) and makes a dihedral angle of 3.804 (12)degrees with the phenyl ring. The configuration about the C=N double bond is E. In the crystal structure, pairs of C-H center dot center dot center dot N hydrogen bonds and C-H center dot center dot center dot pi interactions link the molecules into inversion dimers with an R-2(2)(16) ring motif. These dimers are additionally linked by weak pi-pi stacking interactions between the phenyl rings, leading to a layered arrangement parallel to (010). Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the packing arrangement are from H center dot center dot center dot H (47.9%) and C center dot center dot center dot H/H center dot center dot center dot C (25.6%) interactions.