Journals Information
Universal Journal of Physics and Application Vol. 11(2), pp. 57 - 61
DOI: 10.13189/ujpa.2017.110203
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Crystal Structure and Theoretical Study of N,N-di[(5-chloro-2-oxo-2,3-dihydrobenzo[d]oxazole-3-yl)methyl]ethanamine
Abdullah Aydin 1,*, Zeynep Soyer 2, Mehmet Akkurt 3, Orhan Buyukgungor 4
1 Department of Mathematics and Science Education, Faculty of Education, Kastamonu University, Turkey
2 Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ege University, Turkey
3 Department of Physics, Faculty of Sciences, Erciyes University, Turkey
4 Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayis University, Turkey
ABSTRACT
The aim of the present work is to explore crystal and electronic structure of N,N-di[(5-chloro-2-oxo-2,3-dihydrobenzo[d]oxazole-3-yl)methyl]ethanamine. In the title compound, C18H15Cl2N3O4, the two 2, 3-dihydro-1, 3-benzoxazole ring systems are almost planar and make a dihedral angle of 96.12(7) with each other. The ethyl group is disordered over two set of sites with a site-occupancy ratio of 0.766(12):0.234(12). The crystal structure contain intermolecular C—H...O hydrogen bonds which form a zigzag chains along the c-axis, C—H...π interactions and π-π stacking interactions [centroid-centroid distance = 3.5668(19) Å].
KEYWORDS
Crystal Structure, 2(3H)-Benzoxazolone, Hydrogen Bonding, π-π Stacking Interactions, AM1 Method
Cite This Paper in IEEE or APA Citation Styles
(a). IEEE Format:
[1] Abdullah Aydin , Zeynep Soyer , Mehmet Akkurt , Orhan Buyukgungor , "Crystal Structure and Theoretical Study of N,N-di[(5-chloro-2-oxo-2,3-dihydrobenzo[d]oxazole-3-yl)methyl]ethanamine," Universal Journal of Physics and Application, Vol. 11, No. 2, pp. 57 - 61, 2017. DOI: 10.13189/ujpa.2017.110203.
(b). APA Format:
Abdullah Aydin , Zeynep Soyer , Mehmet Akkurt , Orhan Buyukgungor (2017). Crystal Structure and Theoretical Study of N,N-di[(5-chloro-2-oxo-2,3-dihydrobenzo[d]oxazole-3-yl)methyl]ethanamine. Universal Journal of Physics and Application, 11(2), 57 - 61. DOI: 10.13189/ujpa.2017.110203.