Crystal structure of 5-hydroxy-5-propylbarbituric acid

Abstract

Molecules of the title compound, C7H10N2O4, systematic name 5-hydroxy-5-propylpyrimidine-2,4,6(1H,3H,5H)-trione, form a hydrogen-bonded framework which is based on three independent hydrogen bonds, N—H...O(carbonyl), N—H...O(hydroxy) and O—H...O(carbonyl). This framework has the topology of the 5-connected nov net. Each molecule is linked to five other molecules via six hydrogen bonds, and the descriptor of the hydrogen-bonded structure is F65[44.66-nov]. The crystal packing is isostructural with that of the previously reported 5-hydroxy-5-ethyl analogue.

Keywords

• barbiturates
• crystal structure
• hydrogen bonding
• isostructurality
• topology
• XPac