Crystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)-phenyl]-3-(thiophen-2-yl)prop-2-en-1-one


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Yesilyurt F., Aydin A., GÜL H. İ. , AKKURT M. , Ozcelik N. D.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.74, ss.960-968, 2018 (ESCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 74
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1107/s2056989018008459
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Sayfa Sayıları: ss.960-968

Özet

In the title compound, C18H19NO3S, the morpholine ring adopts a chair conformation. The thiophene ring forms dihedral angles of 26.04 (9) and 74.07 (10)degrees with the benzene ring and the mean plane of the morpholine ring, respectively. The molecular conformation is stabilized by an O-H center dot center dot center dot N hydrogen bond. In the crystal, molecules are connected through C-H center dot center dot center dot O hydrogen bonds, forming wave-like layers parallel to the ab plane, which are further linked into a three-dimensional network by C-H center dot center dot center dot pi interactions involving the benzene rings and the methylene H atoms of the morpholine rings.