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2-Amino-1-(2-carboxyl-atoeth-yl)pyrimidin-1-ium monohydrate.

ABSTRACT: In the title structure, C(7)H(9)N(3)O(2)·H(2)O, there are two formula units in the asymmetric unit. The mol-ecule is a zwitterion, containing a quaternary N atom and a deprotonated carboxyl group, with C-O distances in the range 1.256?(2)-1.266?(3)?Å. The two independent mol-ecules form a hydrogen-bonded R(2) (2)(16) dimer about an approximate inversion center via N-H?O hydrogen bonds, with N?O distances of 2.766?(2) and 2.888?(2)?Å. O-H?O hydro-gen bonds involving the water mol-ecules and additional N-H?O hydrogen bonds link these dimers, forming double chains.

SUBMITTER: Sparrow CR

PROVIDER: S-EPMC3011485 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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2-Amino-1-(2-carboxyl-atoeth-yl)pyrimidin-1-ium monohydrate.

Sparrow Christopher R CR Walker Edwin H EH Fronczek Frank R FR

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

In the title structure, C(7)H(9)N(3)O(2)·H(2)O, there are two formula units in the asymmetric unit. The mol-ecule is a zwitterion, containing a quaternary N atom and a deprotonated carboxyl group, with C-O distances in the range 1.256 (2)-1.266 (3) Å. The two independent mol-ecules form a hydrogen-bonded R(2) (2)(16) dimer about an approximate inversion center via N-H⋯O hydrogen bonds, with N⋯O distances of 2.766 (2) and 2.888 (2) Å. O-H⋯O hydro-gen bonds involving the water mol-ecules and addit ...[more]

PMID: 21589454

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