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
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 86.73†(12) and 13.44†(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-H⋯N hydrogen bonding. Parallel chains inter-act through N-H⋯O hydrogen bonds and π-π stacking of the tris-ubstituted phenyl rings. The major contribution to the surface contacts are H⋯H contacts (44.3%) as concluded from a Hirshfeld surface analysis.

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