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

doi:10.1107/S2056989016000608

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

Chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English (US)
Pages (from-to)	238-240
Number of pages	3
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	72
Issue number	2
DOIs	https://doi.org/10.1107/S2056989016000608
State	Published - Feb 2016

Keywords

Asymmetric tetrazines
Crystal structure
Graph sets
Hydrogen bonding

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1107/S2056989016000608

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

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.",

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volume = "72",

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T1 - 6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate

AU - Broichhagen, Johannes

AU - Klingl, Yvonne E.

AU - Trauner, Dirk

AU - Mayer, Peter

PY - 2016/2

Y1 - 2016/2

N2 - 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.

AB - 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.

KW - Asymmetric tetrazines

KW - Crystal structure

KW - Graph sets

KW - Hydrogen bonding

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

Abstract

Keywords

ASJC Scopus subject areas

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