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3-Amino-1H-pyrazol-2-ium tri-fluoro-acetate.

ABSTRACT: The asymmetric unit of the title salt, C3H6N3 (+)·C2F3O2 (-), contains two independent 3-amino-pyrazolium cations and two independent tri-fluoro-acetate anions. The F atoms of both anions were refined as disordered over two sets of sites, with common occupancy ratios of 0.639?(12):0.361?(12). In the crystal, the cations and anions are linked via N-H?O hydrogen bonds, forming chains along [100] and [010].

SUBMITTER: Yamuna TS

PROVIDER: S-EPMC3884487 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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3-Amino-1H-pyrazol-2-ium tri-fluoro-acetate.

Yamuna T S TS Jasinski Jerry P JP Scadova Derek R DR Yathirajan H S HS Kaur Manpreet M

Acta crystallographica. Section E, Structure reports online 20130814 Pt 9

The asymmetric unit of the title salt, C3H6N3 (+)·C2F3O2 (-), contains two independent 3-amino-pyrazolium cations and two independent tri-fluoro-acetate anions. The F atoms of both anions were refined as disordered over two sets of sites, with common occupancy ratios of 0.639 (12):0.361 (12). In the crystal, the cations and anions are linked via N-H⋯O hydrogen bonds, forming chains along [100] and [010]. ...[more]

PMID: 24427058

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