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Crystal structure of N'-hy-droxy-pyrimidine-2-carboximidamide.

ABSTRACT: The title compound, C5H6N4O, is approximately planar, with an angle of 11.04?(15)° between the planes of the pyrimidine ring and the non-H atoms of the carboximidamide unit. The mol-ecule adopts an E configuration about the C=N double bond. In the crystal, adjacent mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(10) ring motif. The dimers are further linked via N-H?N and O-H?N hydrogen bonds into a sheet structure parallel to the ac plane. The crystal structure also features N-H?O and weak C-H?O hydrogen bonds and offset ?-? stacking inter-actions between adjacent pyrimidine rings [centroid-centroid distance = 3.622?(1)?Å].

SUBMITTER: Jasmine NJ

PROVIDER: S-EPMC4257198 | biostudies-other | 2014 Oct

REPOSITORIES: biostudies-other

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Crystal structure of N'-hy-droxy-pyrimidine-2-carboximidamide.

Jasmine Nithianantham Jeeva NJ Muthiah Packianathan Thomas PT Stanley Nithianantham N

Acta crystallographica. Section E, Structure reports online 20140913 Pt 10

The title compound, C5H6N4O, is approximately planar, with an angle of 11.04 (15)° between the planes of the pyrimidine ring and the non-H atoms of the carboximidamide unit. The mol-ecule adopts an E configuration about the C=N double bond. In the crystal, adjacent mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(10) ring motif. The dimers are further linked via N-H⋯N and O-H⋯N hydrogen bonds into a sheet structure parallel to the ac plane. The cry ...[more]

PMID: 25484698

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