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Diammonium 1,1',3,3'-tetra-methyl-2,2',4,4',6,6'-hexa-oxoperhydro-5,5'-bipyrimidine-5,5'-diide monohydrate.

ABSTRACT: In the title hydrated salt, 2NH(4) (+)·C(12)H(12)N(4)O(6) (2-)·H(2)O, the two hexa-hydro-pyrimidine rings in the dianion are inclined to one another at a dihedral angle of 62.76?(5)°. In the crystal structure, the anions and water mol-ecules are linked into sheets parallel to the bc plane by inter-molecular O-H?O hydrogen bonds and sustained by C-H?O contacts. The linking of the anions and water mol-ecules with the cations by N-H?O hydrogen bonds creates a three-dimensional extended network. The crystal structure is further stabilized by very weak C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2971361 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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Diammonium 1,1',3,3'-tetra-methyl-2,2',4,4',6,6'-hexa-oxoperhydro-5,5'-bipyrimidine-5,5'-diide monohydrate.

Fun Hoong-Kun HK Goh Jia Hao JH Reddy B Palakshi BP Vijayakumar V V Sarveswari S S

Acta crystallographica. Section E, Structure reports online 20091007 Pt 11

In the title hydrated salt, 2NH(4) (+)·C(12)H(12)N(4)O(6) (2-)·H(2)O, the two hexa-hydro-pyrimidine rings in the dianion are inclined to one another at a dihedral angle of 62.76 (5)°. In the crystal structure, the anions and water mol-ecules are linked into sheets parallel to the bc plane by inter-molecular O-H⋯O hydrogen bonds and sustained by C-H⋯O contacts. The linking of the anions and water mol-ecules with the cations by N-H⋯O hydrogen bonds creates a three-dimensional extended network. The ...[more]

PMID: 21578268

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