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2-Imi-niumyl-1,3-diazepane-4-carboxyl-ate.

ABSTRACT: The title compound, C(6)H(11)N(3)O(2), is a cyclized derivative of l-arginine and the mol-ecule is a zwitterion with the positive and negative charge residing in the guanidinium and carboxyl-ate groups, respectively. The conformation of 1,3-diazepane ring is close to a twisted chair. One intra-molecular and three inter-molecular N-H?O hydrogen bonds stabilize the mol-ecular conformation and the crystal structure, respectively.

SUBMITTER: Yang F

PROVIDER: S-EPMC3050370 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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2-Imi-niumyl-1,3-diazepane-4-carboxyl-ate.

Yang Feng F

Acta crystallographica. Section E, Structure reports online 20101204 Pt 1

The title compound, C(6)H(11)N(3)O(2), is a cyclized derivative of l-arginine and the mol-ecule is a zwitterion with the positive and negative charge residing in the guanidinium and carboxyl-ate groups, respectively. The conformation of 1,3-diazepane ring is close to a twisted chair. One intra-molecular and three inter-molecular N-H⋯O hydrogen bonds stabilize the mol-ecular conformation and the crystal structure, respectively. ...[more]

PMID: 21522613

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