کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5132083 | 1491478 | 2017 | 10 صفحه PDF | دانلود رایگان |
The title compound ethyl 2-(2-oxo-2H-chromen-4-yloxy) acetate has been synthesized and characterized by NMR, IR and mass spectral studies, and finally the structure was confirmed by single crystal X-ray diffraction studies. The title compound C13H12O5 crystallizes in the orthorhombic space group P212121 with a single molecule in the asymmetric unit and the unit cell parameters, aâ=â5.1037(7) Ã
, bâ=â7.9867(10) Ã
, câ=â28.300(4) Ã
, and ZÂ =â4. The crystal structure of the title compound exhibit several C-H
-
-
- O intermolecular interactions resulting in a three dimensional architecture. Further, the Hirshfeld surface analysis reveals the nature of intermolecular contacts. The fingerprint plot provides the information about the percentage contribution which clearly states that Hâ¦H (37.4%) bonding appears to be a major contributor in the crystal packing, whereas the Oâ¦H (33.2%), Câ¦H (20.2%) from the intermolecular contacts to the surface.
66
Journal: Chemical Data Collections - Volumes 9â10, August 2017, Pages 1-10