Abstract
The title compound, C6H10N4O4·H2O, crystallizes with two independent formula units in the asymmetric unit, their geometric parameters being quite similar. The conformations of the 1,3-diazepane rings are also similar and close to a twist-boat. All ten O- and N-bound H atoms are involved in hydrogen bonds, two of which are intra- and eight intermolecular linking crystallographically independent molecules, into a three-dimensional hydrogen-bonded network.
Highlights
The title compound, C6H10N4O4H2O, crystallizes with two independent formula units in the asymmetric unit, their geometric parameters being quite similar
H atoms treated by a mixture of independent and constrained refinement max = 0.44 e Å3
All ten O- and N-bound H atoms are involved in hydrogen bonds, two of which are intra- and eight intermolecular linking crystallographically independent molecules, into a three-dimensional hydrogen-bonded network
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.44 e Å3. R factor = 0.046; wR factor = 0.132; data-to-parameter ratio = 8.8. The title compound, C6H10N4O4H2O, crystallizes with two independent formula units in the asymmetric unit, their geometric parameters being quite similar. The conformations of the 1,3-diazepane rings are similar and close to a twistboat. All ten O- and N-bound H atoms are involved in hydrogen bonds, two of which are intra- and eight intermolecular linking crystallographically independent molecules, into a three-dimensional hydrogen-bonded network
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