Crystal structure of N ′-hydroxypyrimidine-2-carboximidamide

The title compound, C 5 H 6 N 4 O, 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 molecule adopts an E configuration about the C=N double bond. In the crystal, adjacent molecules are linked by pairs...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Jg. 70; H. 10; S. o1107 - o1108
Hauptverfasser: Jasmine, Nithianantham Jeeva, Muthiah, Packianathan Thomas, Stanley, Nithianantham
Format: Journal Article
Sprache:Englisch
Veröffentlicht: International Union of Crystallography 01.10.2014
Schlagworte:
biological activity
crystal structure
hydrogen bonding
non-covalent interactions
pyrimidine-2-carboximidamide
π–π stacking interactions
ISSN:1600-5368, 1600-5368
Online-Zugang:Volltext
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Beschreibung
Zusammenfassung:The title compound, C 5 H 6 N 4 O, 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 molecule adopts an E configuration about the C=N double bond. In the crystal, adjacent molecules 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 interactions between adjacent pyrimidine rings [centroid–centroid distance = 3.622 (1) Å].
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536814020285