Acridine 0.75-hydrate

Einat Schur, Joel Bernstein, Andreas Lemmerer, Radion Vainer

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

The title compound, C 13H 9N·0.75H 2O was obtained during a study of the polymorphic system of acridine, by slow evaporation from an ethanol-water solution. There are two acridine molecules (indicated by I and II, respectively) and one and a half water mol-ecules in the asymmetric unit. The half-mol-ecule of water is located on a crystallographic twofold axis. The crystal structure is built up from two threads of molecule II sewn together with water molecules through O-H⋯O and O-H⋯N hydrogen bonds from one side and with π-π interactions [centroid-centroid distance = 3.640 (3) and 3.7431 (3) Å] between overlapping molecules II on the other side. Molecule I is attached to this thread from both sides by C-H⋯O hydrogen bonds. The threads are connected to each other by π-π interactions [centroid-centroid distances = 3.582 (3) and 3.582 (3) Å] between the inner side of molecule I and stabilized by a C-H⋯π interaction on the other side of molecule I. This thread with rows of molecule I hanging on its sides is generated by translation perpendicular to the a axis.

Original languageEnglish
Pages (from-to)o2761
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number10
DOIs
StatePublished - 1 Oct 2011

Keywords

  • R factor = 0.058
  • T = 197 K
  • data-to-parameter ratio = 13.3
  • mean σ(C-C) = 0.005 Å
  • single-crystal X-ray study
  • wR factor = 0.197

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics

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