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2-Amino-5-nitro-pyridinium tri-fluoro-acetate.

ABSTRACT: The title salt, C5H6N3O2 (+)·C2F3O2 (-), crystallizes with two cations and two anions in the asymmetric unit. In the crystal, the acetate and pyridine groups are linked by a pair of N-H⋯O hydrogen bonds, forming loops described by the graph-set motif R 2 (2)(8). These loops are linked via N-H⋯O hydrogen bonds, forming chains along [001]. The chains are in turn linked by C-H⋯O and C-H⋯F hydrogen bonds, generating a three-dimensional supra-molecular network. In both anions, the O and F atoms are disordered over two sites, with occupancy ratios of 0.852 (3):0.148 (3) and 0.851 (3):0.149 (3).

SUBMITTER: Jovita JV

PROVIDER: S-EPMC3684927 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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2-Amino-5-nitro-pyridinium tri-fluoro-acetate.

Jovita Josephine Viavulamary JV Sathya Shanmugam S Usha Govindasamy G Vasanthi Ramachandran R Ezhilarasi Krishnan Sarada KS

Acta crystallographica. Section E, Structure reports online 20130511 Pt 6

The title salt, C5H6N3O2 (+)·C2F3O2 (-), crystallizes with two cations and two anions in the asymmetric unit. In the crystal, the acetate and pyridine groups are linked by a pair of N-H⋯O hydrogen bonds, forming loops described by the graph-set motif R 2 (2)(8). These loops are linked via N-H⋯O hydrogen bonds, forming chains along [001]. The chains are in turn linked by C-H⋯O and C-H⋯F hydrogen bonds, generating a three-dimensional supra-molecular network. In both anions, the O and F atoms are d ...[more]

PMID: 23795029

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