1.
Acta Crystallogr E Crystallogr Commun
; 73(Pt 1): 45-47, 2017 Jan 01.
Artículo
en Inglés
| MEDLINE
| ID: mdl-28083133
RESUMEN
In the title compound, C16H9ClO4 the dihedral angle between the coumarin ring system [maximum deviation = 0.023â (1)â Å] and the benzene ring is 73.95â (8)°. In the crystal, π-π inter-actions link the dimers into a three-dimensional framework. A quantum chemical calculation is in generally good agreement with the observed structure, although the calculated dihedral angle between the ring systems (85.7%) is somewhat larger than the observed value [73.95â (8)°]. Hirshfeld surface analysis has been used to confirm and qu-antify the supra-molecular inter-actions.