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

Yesilyurt, Fatma; Aydin, Abdullah; GÜL, Halise; AKKURT, MEHMET; Ozcelik, Nefise

doi:10.1107/s2056989018008459

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

Atıf İçin Kopyala

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)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 74
Basım Tarihi: 2018
Doi Numarası: 10.1107/s2056989018008459
Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
Sayfa Sayıları: ss.960-968
Erciyes Üniversitesi Adresli: Evet

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.