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Crystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-one       
Yazarlar
Fatma Yeşilyurt
Prof. Dr. Abdullah AYDIN Prof. Dr. Abdullah AYDIN
Kastamonu Üniversitesi, Türkiye
Halise İnci Gül
Atatürk Üniversitesi, Türkiye
Mehmet Akkurt
Erciyes Üniversitesi, Türkiye
Nefise Özçelik
Aksaray Üniversitesi, Türkiye
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)° with the benzene ring and the mean plane of the morpholine ring, respectively. The molecular conformation is stabilized by an O - H⋯N hydrogen bond. In the crystal, molecules are connected through C - H⋯O hydrogen bonds, forming wave-like layers parallel to the ab plane, which are further linked into a three-dimensional network by C - H⋯π interactions involving the benzene rings and the methylene H atoms of the morpholine rings.
Anahtar Kelimeler
chalcones | Crystal structure | HOMO | LUMO | Mannich bases | quantum-chemical calculation | theoretical study
Makale Türü Özgün Makale
Makale Alt Türü ESCI dergilerinde yayımlanan tam makale
Dergi Adı ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Dergi ISSN 2056-9890
Dergi Tarandığı Indeksler ESCI
Makale Dili İngilizce
Basım Tarihi 07-2018
Cilt No 74
Sayı 1
Sayfalar 960 / 963
Doi Numarası 10.1107/S2056989018008459
Makale Linki http://dx.doi.org/10.1107/s2056989018008459