Solid-State structure of free base guanidine achieved at last

Takahiro Yamada, Xiaohui Liu, Ulli Englert, Hisanori Yamane, Richard Dronskowski

Research output: Contribution to journalArticlepeer-review

49 Citations (Scopus)

Abstract

A study was conducted to investigate the first single-crystal structure determination of the free base guanidine and its hydrogen-bonded molecular network. The study also compared the structural details with the predicted structures and those molecular structures known from guanidine co-crystals. Diffraction experiments at 100, 150, 200, 250, and 270 K confirmed that guanidine failed to achieve any phase transition in this range. The crystal and molecular structures at 100 K based on intensity data of elevated resolution were also described. It was observed that pure guanidine crystallized in the space group Pbca with two independent Y-shaped molecules in the asymmetric unit along with a total of 16 molecules in the unit cell. The study concluded that the molecule consisted a central C atom to which one imino group (NH) and two amino groups (NH2) were covalently bonded.

Original languageEnglish
Pages (from-to)5651-5655
Number of pages5
JournalChemistry - A European Journal
Volume15
Issue number23
DOIs
Publication statusPublished - 2009 Jun 2

Keywords

  • Crystal growth
  • Crystal structure determination
  • Guanidine
  • Hydrogen bonds

ASJC Scopus subject areas

  • Catalysis
  • Organic Chemistry

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