1.
Acta Crystallogr E Crystallogr Commun
; 75(Pt 11): 1590-1594, 2019 Nov 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-31709074
RESUMO
In the title pyrazoline derivative, C16H16N2O3·H2O, the pyrazoline ring has an envelope conformation with the substituted sp 2 C atom on the flap. The pyrazoline ring makes angles of 86.73â (12) and 13.44â (12)° with the tris-ubstituted and disubstituted benzene rings, respectively. In the crystal structure, the mol-ecules are connected into chains running in the b-axis direction by O-Hâ¯N hydrogen bonding. Parallel chains inter-act through N-Hâ¯O hydrogen bonds and π-π stacking of the tris-ubstituted phenyl rings. The major contribution to the surface contacts are Hâ¯H contacts (44.3%) as concluded from a Hirshfeld surface analysis.