Acta Crystallographica Section C

Volume 65, Part 11 (November 2009)

organic compounds

 

A hydrogen-bonded ribbon in 6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3H)-one monohydrate and hydrogen-bonded sheets in 6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3H)-one monohydrate

F. Orozco, B. Insuasty, J. Cobo and C. Glidewell

Abstract: In each of 6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3H)-one monohydrate, C₉H₁₃N₅O₂·H₂O, (I), and 6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3H)-one monohydrate, C₇H₁₁N₅O₂·H₂O, (II), the interatomic distances indicate significant polarization of the electronic structures of the pyrimidinone molecules. In each compound, the organic component contains an intramolecular N-HO hydrogen bond. The molecular components in (I) are linked by a combination of two-centre O-HO, O-HN and N-HO hydrogen bonds and a three-centre O-H(NO) hydrogen bond to form a broad ribbon containing five distinct ring motifs. In compound (II), three intermolecular hydrogen bonds, one each of the O-HO, O-HN and N-HO types, link the molecules into sheets containing equal numbers of centrosymmetric R₄⁴(10) and R₁₀⁸(34) rings.

Formula: C₉H₁₃N₅O₂·H₂O and C₇H₁₁N₅O₂·H₂O

	Structure factor file (CIF format) (100.9 kbytes) [ doi:10.1107/S0108270109039018/sk3349Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (92.2 kbytes) [ doi:10.1107/S0108270109039018/sk3349IIsup3.hkl ] Contains datablock II

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Copyright © International Union of Crystallography
IUCr Webmaster