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Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6-bis(pyridin-2-yl)-4-{[(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tetramethyltetra-hydro-5H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)-methoxy]methyl}pyridazine monohydrate

  • Mouad Filali
  • , Hicham Elmsellem
  • , Tuncer Hökelek
  • , Abdelkrim El-Ghayoury
  • , Oleh Stetsiuk
  • , El Mestafa El Hadrami
  • , Abdessalam Ben-Tama

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

In the title compound, C27H30N4O6H2O, the two dioxolo rings are in envelope conformations, while the pyran ring is in a twisted-boat conformation. The pyradizine ring is oriented at dihedral angles of 9.23 (6) and 12.98 (9) with respect to the pyridine rings, while the dihedral angle between the two pyridine rings is 13.45 (10). In the crystal, O-Hwater Opyran, O-Hwater Omethoxymethyl and O-Hwater Npyridazine hydrogen bonds link the molecules into chains along [010]. In addition, weak C-Hdioxolo Odioxolo hydrogen bonds and a weak C-Hmethoxymethyl interaction complete the three-dimensional structure. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H H (55.7%), H C/ C H (14.6%), H O/O H (14.5%) and H N/N H (9.6%) interactions. Hydrogen-bonding and van der Waals interactions are the dominant interactions in the crystal packing. Electrochemical measurements are also reported.

Original languageEnglish
Pages (from-to)1169-1174
Number of pages6
JournalActa Crystallographica Section E: Crystallographic Communications
Volume75
DOIs
Publication statusPublished - 2019

Keywords

  • Crystal structure
  • Dioxolo
  • Electrochemical measurements
  • Hirshfeld surface
  • Pyridazine

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