首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >2-Amino-4-methyl-6-oxo-36-dihydro­pyrimidin-1-ium perchlorate–2-amino-6-methyl­pyrimidin-4(1H)-one–water (1/1/1)
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2-Amino-4-methyl-6-oxo-36-dihydro­pyrimidin-1-ium perchlorate–2-amino-6-methyl­pyrimidin-4(1H)-one–water (1/1/1)

机译:2-氨基-4-甲基-6-氧代-36-二氢­嘧啶-1-高氯酸盐–2-氨基-6-甲基­嘧啶-4(1H)-一水(1/1/1)

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摘要

In the title compound, C5H8N3O+·ClO4 ·C5H7N3O·H2O, each perchlorate anion is paired with a protonated cationic 2-amino-6-methyl­pyrimidin-4(1H)-one and another non-protonated entity of the same organic pyrimidinone. The crystal structure is stabilized by N—H⋯Oorg, N—H⋯Owater, N—H⋯OClO4, O—H⋯OClO4, N—H⋯N and C—H⋯OClO4 hydrogen bonds between the anions, organic entities and water mol­ecules. Inter­molecular π–π stacking inter­actions between neighbouring organic rings are observed with a face-to-face distance of 3.776 (2) Å, and O—H⋯O hydrogen bonds link the perchlorate anions and the water mol­ecules into chains along the b-axis 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).
机译:在标题化合物C5H8N3O + ·ClO4 -·C5H7N3O·H2O中,每个高氯酸根阴离子均与质子化的阳离子2-氨基-6-甲基嘧啶-4(1H)配对-同一有机嘧啶酮的一个和另一个非质子化的实体。阴离子,有机物和有机物之间的氢键,NH-Oorg,NH-Owater,NH-OClO4,OH-OClOClO4,NH-NH和CHOHC10O4氢键可稳定晶体结构。水分子。观察到相邻有机环之间的分子间π-π堆积相互作用,面对面距离为3.776(2)Å,O-H⋯O氢键将高氯酸根阴离子和水分子沿b轴连接成链方向。高氯酸根阴离子和间质性水分子在两个互不相容的位置上紊乱,共同占有率为0.678(16):0.322(16)。

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