In the title pyrazoline derivative, C(16)H(16)N(2)O(3)·H(2)O, 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 Ï-Ï 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.
Synthesis, crystal structure and Hirshfeld surface analysis of 4-[3-(4-hy-droxy-phen-yl)-4,5-di-hydro-1H-pyrazol-5-yl]-2-meth-oxy-phenol monohydrate.
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作者:Duong Khanh Linh, Hanh Trinh Thi My, Quynh Bui Thi Thuy, Vu Quoc Trung, Nguyen Thien Vuong, Van Meervelt Luc
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2019 | 起止号: | 2019 Oct 3; 75(Pt 11):1590-1594 |
| doi: | 10.1107/S2056989019013379 | ||
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