Crystal Structure and Theoretical Study of N,N-di[(5-chloro-2-oxo-2,3-dihydrobenzo[d]oxazole-3-yl)methyl]ethanamine
Makaleler > Tam Makale · 2017
Yazarlar: ABDULLAH AYDIN, Zeynep SOYER, MEHMET AKKURT, ORHAN BÜYÜKGÜNGÖR
Universal Journal of Physics and Application, Diğer Kurumların Hakemli Dergileri, Uluslararası, Chemical Abstracts, 2017, cilt 11, ss 57-61
DOI: 10.13189/ujpa.2017.110203
Özet
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].