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Pyrimidine-2-carboxamide.

ABSTRACT: In the crystal strucuture of the title compound, C(5)H(5)N(3)O, which was obtained upon recrystallization of 2-cyano-pyrimidine from aqueous sodium hydroxide, the amide group is twisted with respect to the aromatic ring by 24.9?(1)°. ?-? stacking is observed between partially overlapped rings at a face-to-face separation of 3.439?(6)?Å. The structure features a centrosymmetric pair of inter-molecular N-H?O hydrogen bonds. Another N-H?O hydrogen bond between adjacent mol-ecules links them into a helical chain motif.

SUBMITTER: Zhang BY

PROVIDER: S-EPMC2915179 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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Pyrimidine-2-carboxamide.

Zhang Bing-Yu BY Yang Qian Q Nie Jing-Jing JJ

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the crystal strucuture of the title compound, C(5)H(5)N(3)O, which was obtained upon recrystallization of 2-cyano-pyrimidine from aqueous sodium hydroxide, the amide group is twisted with respect to the aromatic ring by 24.9 (1)°. π-π stacking is observed between partially overlapped rings at a face-to-face separation of 3.439 (6) Å. The structure features a centrosymmetric pair of inter-molecular N-H⋯O hydrogen bonds. Another N-H⋯O hydrogen bond between adjacent mol-ecules links them into a ...[more]

PMID: 21200670

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