Cytosinium hydrogen chloranilate monohydrate

Kazuma Gotoh; Rie Ishikawa; Hiroyuki Ishida

doi:10.1107/S1600536806038943

Cytosinium hydrogen chloranilate monohydrate

Kazuma Gotoh, Rie Ishikawa, Hiroyuki Ishida

Research output: Contribution to journal › Article

11 Citations (Scopus)

Abstract

The title compound, C₄H₆N₃O ⁺·C₆HCl₂O₄ ^-·H₂O, is a monohydrate salt of chloranilic acid (2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) with cytosine [4-aminopyrimidine- 2(1H)-one]. In the crystal structure, the cytosinium cation, the hydrogen chloranilate anion and the water molecule are held together through O-H⋯O, N-H⋯O, N-H⋯Cl and C-H⋯O hydrogen bonds, forming a molecular tape. The tapes are further linked by O-H⋯Cl and C-H⋯Cl hydrogen bonds, forming a three-dimensional hydrogen-bond network.

Original language	English
Pages (from-to)	o4738-o4740
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	62
Issue number	10
DOIs	https://doi.org/10.1107/S1600536806038943
Publication status	Published - Oct 1 2006

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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Gotoh, K., Ishikawa, R., & Ishida, H. (2006). Cytosinium hydrogen chloranilate monohydrate. Acta Crystallographica Section E: Structure Reports Online, 62(10), o4738-o4740. https://doi.org/10.1107/S1600536806038943

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title = "Cytosinium hydrogen chloranilate monohydrate",

abstract = "The title compound, C4H6N3O +·C6HCl2O4 -·H2O, is a monohydrate salt of chloranilic acid (2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) with cytosine [4-aminopyrimidine- 2(1H)-one]. In the crystal structure, the cytosinium cation, the hydrogen chloranilate anion and the water molecule are held together through O-H⋯O, N-H⋯O, N-H⋯Cl and C-H⋯O hydrogen bonds, forming a molecular tape. The tapes are further linked by O-H⋯Cl and C-H⋯Cl hydrogen bonds, forming a three-dimensional hydrogen-bond network.",

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T1 - Cytosinium hydrogen chloranilate monohydrate

AU - Gotoh, Kazuma

AU - Ishikawa, Rie

AU - Ishida, Hiroyuki

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N2 - The title compound, C4H6N3O +·C6HCl2O4 -·H2O, is a monohydrate salt of chloranilic acid (2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) with cytosine [4-aminopyrimidine- 2(1H)-one]. In the crystal structure, the cytosinium cation, the hydrogen chloranilate anion and the water molecule are held together through O-H⋯O, N-H⋯O, N-H⋯Cl and C-H⋯O hydrogen bonds, forming a molecular tape. The tapes are further linked by O-H⋯Cl and C-H⋯Cl hydrogen bonds, forming a three-dimensional hydrogen-bond network.

AB - The title compound, C4H6N3O +·C6HCl2O4 -·H2O, is a monohydrate salt of chloranilic acid (2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) with cytosine [4-aminopyrimidine- 2(1H)-one]. In the crystal structure, the cytosinium cation, the hydrogen chloranilate anion and the water molecule are held together through O-H⋯O, N-H⋯O, N-H⋯Cl and C-H⋯O hydrogen bonds, forming a molecular tape. The tapes are further linked by O-H⋯Cl and C-H⋯Cl hydrogen bonds, forming a three-dimensional hydrogen-bond network.

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