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5-Amino-1H-pyrazol-2-ium hydrogen succinate.


ABSTRACT: In the cation of the title salt, C3H6N3 (+)·C4H5O4 (-), the protonated pyrazolium ring is planar (r.m.s. deviation = 0.012?Å). An intra-molecular C-H?O hydrogen bond occurs in the anion. In the crystal, N-H?O hydrogen bonds and a weak C-H?O inter-action between the cations and anions form two sets of R 2 (2)(8) graph-set ring motifs. Inter-molecular O-H?O hydrogen bonds between these lead to a criss-cross pattern along the b axis. In addition to the classical hydrogen bonds, a weak C-H??(pyrazolium) inter-action is observed and contributes to crystal packing. All of these inter-actions link the mol-ecules into a two-dimensional supra-molecular framework parallel to (10-1).

SUBMITTER: Yamuna TS 

PROVIDER: S-EPMC3998361 | biostudies-other | 2014 Feb

REPOSITORIES: biostudies-other

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5-Amino-1H-pyrazol-2-ium hydrogen succinate.

Yamuna Thammarse S TS   Kaur Manpreet M   Anderson Brian J BJ   Jasinski Jerry P JP   Yathirajan H S HS  

Acta crystallographica. Section E, Structure reports online 20140129 Pt 2


In the cation of the title salt, C3H6N3 (+)·C4H5O4 (-), the protonated pyrazolium ring is planar (r.m.s. deviation = 0.012 Å). An intra-molecular C-H⋯O hydrogen bond occurs in the anion. In the crystal, N-H⋯O hydrogen bonds and a weak C-H⋯O inter-action between the cations and anions form two sets of R 2 (2)(8) graph-set ring motifs. Inter-molecular O-H⋯O hydrogen bonds between these lead to a criss-cross pattern along the b axis. In addition to the classical hydrogen bonds, a weak C-H⋯π(pyrazol  ...[more]

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