6-amino-2-(3,4-dimethoxybenzylamino)-3-methyl-5-nitrosopyrimidin-4(3H)-one: hydrogen-bonded sheets form

Rodrigo Abonia¹, Christopher Glidewell, John N Low

¹Grupo de Investigación de Compuestos Heterocíclicos, Departamento de Química, Universidad de Valle, AA 25360, Cali, Colombia.

Acta Crystallographica. Section C, Crystal Structure Communications

|May 14, 2003

Abstract:

Molecules of the title compound, C(14)H(17)N(5)O(4), exhibit a highly polarized molecular-electronic structure. The molecules are linked into sheets by two N-H...O hydrogen bonds [H...O = 2.03 and 2.02 A, N...O = 2.836 (2) and 2.887 (2) A, and N-H...O = 153 and 168 degrees ], augmented by a single C-H...O hydrogen bond [H...O = 2.47 A, C.O = 3.403 (2) A and C-H...O = 166 degrees ]. Pairs of sheets, related by inversion, form bilayers with interdigitated dimethoxybenzyl substituents, weakly linked by a further C-H.O interaction [H...O = 2.50 A, C...O = 3.350 (2) A and C-H...O = 146 degrees].

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Abstract:

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6-amino-2-(3,4-dimethoxybenzylamino)-3-methyl-5-nitrosopyrimidin-4(3H)-one: hydrogen-bonded sheets form