Synthesis, crystal structure and Hirshfeld surface analysis of 4-[3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol monohydrate
oleh: Linh Duong Khanh, My Hanh Trinh Thi, Thuy Quynh Bui Thi, Trung Vu Quoc, Vuong Nguyen Thien, Luc Van Meervelt
| Format: | Article |
|---|---|
| Diterbitkan: | International Union of Crystallography 2019-11-01 |
Deskripsi
In the title pyrazoline derivative, C16H16N2O3·H2O, the pyrazoline ring has an envelope conformation with the substituted sp2 C atom on the flap. The pyrazoline ring makes angles of 86.73 (12) and 13.44 (12)° with the trisubstituted and disubstituted benzene rings, respectively. In the crystal structure, the molecules are connected into chains running in the b-axis direction by O—H...N hydrogen bonding. Parallel chains interact through N—H...O hydrogen bonds and π–π stacking of the trisubstituted phenyl rings. The major contribution to the surface contacts are H...H contacts (44.3%) as concluded from a Hirshfeld surface analysis.