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. 2014 Sep 13;70(Pt 10):o1107-8.
doi: 10.1107/S1600536814020285. eCollection 2014 Oct 1.

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

Nithianantham Jeeva Jasmine  1 , Packianathan Thomas Muthiah  1 , Nithianantham Stanley  1
Affiliations

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

Nithianantham Jeeva Jasmine et al. Acta Crystallogr Sect E Struct Rep Online. .

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 π-π stacking inter-actions between adjacent pyrimidine rings [centroid-centroid distance = 3.622 (1) Å].

Keywords: biological activity; crystal structure; hydrogen bonding; non-covalent inter­actions; pyrimidine-2-carboximidamide; π–π stacking inter­actions.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound with atom labels. Displacement ellipsoids are shown at the 50% probability level.
Fig. 2.
Fig. 2.
The crystal packing of the title compound viewed along the b axis die=rection. H atoms not involved in intermolecular interactions (dashed lines) have been omitted for clarity.
See this image and copyright information in PMC

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