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L-2-Nitrimino-1,3-diazepane-4-carboxylic acid monohydrate.

ABSTRACT: The title compound, C(6)H(10)N(4)O(4)·H(2)O, 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 inter-molecular linking crystallographically independent mol-ecules, into a three-dimensional hydrogen-bonded network.

SUBMITTER: Karapetyan HA

PROVIDER: S-EPMC2961828 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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l-2-Nitrimino-1,3-diazepane-4-carboxylic acid monohydrate.

Karapetyan Harutyun A HA

Acta crystallographica. Section E, Structure reports online 20080607 Pt 7

The title compound, C(6)H(10)N(4)O(4)·H(2)O, 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 inter-molecular linking crystallographically independent mol-ecules, into a three-dimensional hydrogen-bonded network. ...[more]

PMID: 21202859

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