Title of article :
Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfan­yl]-N-(2-meth­­oxy­phen­yl)acetamide
Author/Authors :
Aydin, Abdullah Department of Mathematics and Science Education - Faculty of Education - Kastamonu University, Turkey , Turktekin Celikesir, Sevim Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Saylam, Merve Department of Pharmaceutical Chemistry - Faculty of Pharmacy - Izmir Katip Celebi University, Turkey , Pabuccuoglu, Varol Department of Pharmaceutical Chemistry - Faculty of Pharmacy - Ege University, Turkey
Pages :
10
From page :
1
To page :
10
Abstract :
In the title compound, C16H14N2O3S, the 1,3-benzoxazole ring system is essentially planar (r.m.s deviation = 0.004 Å) 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 R22(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%) inter­action
Keywords :
crystal structure , 1,3-benzoxazole ring system , dimers , hydrogen bonding , Hirshfeld surface analysis
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2019
Full Text URL :
Record number :
2625286
Link To Document :
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