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Synthesis, crystal structure and Hirshfeld surface analysis of 4-[3-(4-hy­droxy­phen­yl)-4,5-di­hydro-1H-pyrazol-5-yl]-2-meth­oxy­phenol monohydrate

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 tris­ubstituted and disubstituted benzene rings, respectively. In the...

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Detalles Bibliográficos
Autores principales: Duong Khanh, Linh, Hanh Trinh Thi, My, Quynh Bui Thi, Thuy, Vu Quoc, Trung, Nguyen Thien, Vuong, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829711/
https://www.ncbi.nlm.nih.gov/pubmed/31709074
http://dx.doi.org/10.1107/S2056989019013379
Descripción
Sumario: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 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.