Abstract
The title compound, C6H11N3O3·0.5H2O, has two independent molecules and one molecule of water in the asymmetric unit. The crystal packing is stabilized by intermolecular N—H⋯N, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. These interactions form a two-dimensional array in the ab plane with a zigzag motif which has an angle close to 35° between the zigzag planes. The hydrogen bonding can be best described using the graph-set notation as N 1 = C(10)R 2 2(10)R 2 2(8) and N 2 = R 6 4(20)R 2 2(8).
Highlights
The title compound, C6H11N3O30.5H2O, has two independent molecules and one molecule of water in the asymmetric unit
H atoms treated by a mixture of independent and constrained refinement max = 0.20 e Å3
The crystal packing is stabilized by intermolecular N—H N, O—H O, N—H O and C—H O hydrogen bonds
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.20 e Å3. R factor = 0.059; wR factor = 0.137; data-to-parameter ratio = 16.6. The title compound, C6H11N3O30.5H2O, has two independent molecules and one molecule of water in the asymmetric unit. The crystal packing is stabilized by intermolecular N—H N, O—H O, N—H O and C—H O hydrogen bonds. These interactions form a two-dimensional array in the ab plane with a zigzag motif which has an angle close to 35 between the zigzag planes. The hydrogen bonding can be best described using the graph-set notation as N1 = C(10)R22(10)R22(8) and N2
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