2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate-2-amino-6- methylpyrimidin-4(1H)-onewater (1/1/1)

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Abstract

In the title compound, C 5H 8N 3O +·ClO 4-·C 5H 7N 3O·H 2O, each perchlorate anion is paired with a protonated cationic 2-amino-6-methylpyrimidin-4(1H)-one and another nonprotonated entity of the same organic pyrimidinone. The crystal structure is stabilized by N - H⋯Oorg, N - H⋯Owater, N - H⋯OClO 4, O - H⋯OClO 4, N - H⋯N and C - H⋯OClO 4 hydrogen bonds between the anions, organic entities and water molecules. Intermolecular π-π stacking interactions between neighbouring organic rings are observed with a facetoface distance of 3.776 (2) Å, and O - H⋯O hydrogen bonds link the perchlorate anions and the water molecules into chains along the baxis direction. The perchlorate anion and the interstitial water molecule are disordered over two mutually incompatible positions with a common occupancy ratio of 0.678 (16):0.322 (16).

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Kaabi, K., El Glaoui, M., Ferretti, V., Zeller, M., & Ben Nasr, C. (2011). 2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate-2-amino-6- methylpyrimidin-4(1H)-onewater (1/1/1). Acta Crystallographica Section E: Structure Reports Online, 67(9). https://doi.org/10.1107/S1600536811034106

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