6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate

Johannes Broichhagen, Yvonne E. Klingl, Dirk Trauner, Peter Mayer

Research output: Contribution to journalArticle

Abstract

The packing of the title compound, C12H9N7.H2O, is dominated by hydrogen bonding and π-stacking. Layers parallel to [010] are established by hydrogen bonds involving all amine donor functions and one of the water donor functions, while the remaining water donor function enables the stacking of the layers along [101], which is accompanied by π-stacking. In the molecule, the plane of the central tetrazine ring forms angles of 5.33 (7) and 19.84 (8)° with the adjacent 3-amine-pyridine and pyridine rings, respectively.

Original languageEnglish (US)
Pages (from-to)238-240
Number of pages3
JournalActa Crystallographica Section E: Crystallographic Communications
Volume72
Issue number2
DOIs
StatePublished - Feb 1 2016

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Amines
amines
Pyridine
pyridines
Hydrogen bonds
Water
rings
water
hydrogen bonds
Molecules
hydrogen
molecules
pyridine

Keywords

  • Asymmetric tetrazines
  • Crystal structure
  • Graph sets
  • Hydrogen bonding

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate. / Broichhagen, Johannes; Klingl, Yvonne E.; Trauner, Dirk; Mayer, Peter.

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 72, No. 2, 01.02.2016, p. 238-240.

Research output: Contribution to journalArticle

Broichhagen, Johannes ; Klingl, Yvonne E. ; Trauner, Dirk ; Mayer, Peter. / 6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate. In: Acta Crystallographica Section E: Crystallographic Communications. 2016 ; Vol. 72, No. 2. pp. 238-240.
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