• Media type: E-Article
  • Title: Synthesis, crystal structure and Hirshfeld surface analysis of 4-[3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol monohydrate
  • Contributor: Duong Khanh, Linh; Hanh Trinh Thi, My; Quynh Bui Thi, Thuy; Vu Quoc, Trung; Nguyen Thien, Vuong; Van Meervelt, Luc
  • imprint: International Union of Crystallography (IUCr), 2019
  • Published in: Acta Crystallographica Section E Crystallographic Communications
  • Language: Not determined
  • DOI: 10.1107/s2056989019013379
  • ISSN: 2056-9890
  • Keywords: Condensed Matter Physics ; General Materials Science ; General Chemistry
  • Origination:
  • Footnote:
  • Description: <jats:p>In the title pyrazoline derivative, C<jats:sub>16</jats:sub>H<jats:sub>16</jats:sub>N<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub>·H<jats:sub>2</jats:sub>O, the pyrazoline ring has an envelope conformation with the substituted<jats:italic>sp</jats:italic><jats:sup>2</jats:sup>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<jats:italic>b</jats:italic>-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.</jats:p>
  • Access State: Open Access