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3-Amino-carbonyl-pyridinium difluoro-acetate at 123?K.

ABSTRACT: In the crystal of the title compound, C(6)H(7)N(2)O(+)·C(2)HF(2)O(2) (-), the cation adopts a catemeric N-H?O hydrogen-bonded chain motif involving the carboxamide group, with two further N-H?O hydrogen bonds connecting the cations to adjacent difluoro-acetate anions via the carboxamide and pyridinium N atoms. The carboxamide group of the nicotinamidium ion is twisted by 32.3?(6)° from the pyridine ring plane. A number of C-H?O and C-H?F interactions consolidate the packing.

SUBMITTER: Bardin J

PROVIDER: S-EPMC2971316 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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3-Amino-carbonyl-pyridinium difluoro-acetate at 123 K.

Bardin Julie J Florence Alastair J AJ Arlin Jean-Baptiste JB Kennedy Alan R AR Wong Li Ven LV

Acta crystallographica. Section E, Structure reports online 20091028 Pt 11

In the crystal of the title compound, C(6)H(7)N(2)O(+)·C(2)HF(2)O(2) (-), the cation adopts a catemeric N-H⋯O hydrogen-bonded chain motif involving the carboxamide group, with two further N-H⋯O hydrogen bonds connecting the cations to adjacent difluoro-acetate anions via the carboxamide and pyridinium N atoms. The carboxamide group of the nicotinamidium ion is twisted by 32.3 (6)° from the pyridine ring plane. A number of C-H⋯O and C-H⋯F interactions consolidate the packing. ...[more]

PMID: 21578479

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