4-[3-(4-羟基苯基)-4,5-二氢-1-吡唑-5-基]-2-甲氧基苯酚一水合物的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure and Hirshfeld surface analysis of 4-[3-(4-hy-droxy-phen-yl)-4,5-di-hydro-1-pyrazol-5-yl]-2-meth-oxy-phenol monohydrate.

作者信息

Duong Khanh Linh, Hanh Trinh Thi My, Quynh Bui Thi Thuy, Vu Quoc Trung, Nguyen Thien Vuong, Van Meervelt Luc

机构信息

Faculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, Vietnam.

Institute for Tropical Technology, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Hanoi, Vietnam.

出版信息

Acta Crystallogr E Crystallogr Commun. 2019 Oct 3;75(Pt 11):1590-1594. doi: 10.1107/S2056989019013379. eCollection 2019 Nov 1.

In the title pyrazoline derivative, CHNO·HO, the pyrazoline ring has an envelope conformation with the substituted 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 -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.