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Ethane-1,2-diaminium bis-(4-carb-oxy-2-propyl-1H-imidazole-5-carb-oxy-ate) monohydrate.

ABSTRACT: In the title hydrated molecular salt, C(2)H(10)N(2) (2+)·2C(8)H(9)N(2)O(4) (-)·H(2)O, an intra-molecular O-H?O hydrogen bond occurs in the anion, forming an S(7) ring. The -CO(2) and -CO(2)H groups make dihedral angles of 3.2?(2) and 2.0?(3)°, respectively, with the five-membered ring. In the crystal, N-H?O, N-H?N and O-H?O hydrogen bonds lead to the formation of a three-dimensional supra-molecular architecture. The methyl group in the anion is disordered over two sets of sites in a 0.716?(9):0.284?(9) ratio. The ethylenediamine cation is generated by symmetry and the water molecule lies on a twofold axis.

SUBMITTER: Ying YM

PROVIDER: S-EPMC3414266 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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Ethane-1,2-diaminium bis-(4-carb-oxy-2-propyl-1H-imidazole-5-carb-oxy-ate) monohydrate.

Ying Yi-Mei YM Zhang Tong T Yang Guang-Rui GR Ma Ning N

Acta crystallographica. Section E, Structure reports online 20120704 Pt 8

In the title hydrated molecular salt, C(2)H(10)N(2) (2+)·2C(8)H(9)N(2)O(4) (-)·H(2)O, an intra-molecular O-H⋯O hydrogen bond occurs in the anion, forming an S(7) ring. The -CO(2) and -CO(2)H groups make dihedral angles of 3.2 (2) and 2.0 (3)°, respectively, with the five-membered ring. In the crystal, N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds lead to the formation of a three-dimensional supra-molecular architecture. The methyl group in the anion is disordered over two sets of sites in a 0.716 (9):0. ...[more]

PMID: 22904799

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