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Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide       
Yazarlar
Prof. Dr. Abdullah AYDIN Prof. Dr. Abdullah AYDIN
Kastamonu Üniversitesi, Türkiye
Sevim Çelikesir Türktekin
Mehmet Akkurt
Erciyes Üniversitesi, Türkiye
Merve Saylam
İzmir Katip Çelebi Üniversitesi, Türkiye
Varol Papuccuoğlu
Özet
In the title compound, C16H14N2O3S, the 1,3-benzoxazole ring system is essentially planar (r.m.s deviation = 0.004Å) and makes a dihedral angle of 66.16(17)° with the benzene ring of the methoxyphenyl group. Two intramolecular N - H⋯O and N - H⋯N hydrogen bonds occur, forming S(5) and S(7) ring motifs, respectively. In the crystal, pairs of C - H⋯O hydrogen bonds link the molecules into inversion dimers with R 2 2(14) ring motifs, stacked along the b-axis direction. The inversion dimers are linked by C - H⋯π and π-π-stacking interactions [centroid-to-centroid distances = 3.631(2) and 3.631(2)Å], forming a three-dimensional network. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from H⋯H (39.3%), C⋯H/H⋯C (18.0%), O⋯H/H⋯O (15.6) and S⋯H/H⋯S (10.2%) interactions.
Anahtar Kelimeler
1,3-benzoxazole ring system | Crystal structure | Dimers | Hirshfeld surface analysis | Hydrogen bonding
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 10-2019
Cilt No 75
Sayı 1
Sayfalar 1531 / 1535
Doi Numarası 10.1107/S2056989019012908
Makale Linki http://dx.doi.org/10.1107/s2056989019012908