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N,N',N''-Triphenyl-guanidinium 5-nitro-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-ide.

ABSTRACT: In the title compound, C(19)H(18)N(3) (+.)C(4)H(2)N(3)O(4) (-), the dihedral angles between the phenyl rings and the plane defined by the central guanidinium fragment are in the range 41.3?(1)-66.6?(1)°. The pyrimidine ring of the anion is distorted towards a boat conformation and the nitro group is rotated 11.4?(2)° out of the uracil plane. Hydrogen bonds assemble the ions in infinite helical chains along the b axis.

SUBMITTER: Pereira Silva PS

PROVIDER: S-EPMC2961510 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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N,N',N''-Triphenyl-guanidinium 5-nitro-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-ide.

Pereira Silva P S PS Domingos S R SR Ramos Silva M M Paixão J A JA Matos Beja A A

Acta crystallographica. Section E, Structure reports online 20080517 Pt 6

In the title compound, C(19)H(18)N(3) (+.)C(4)H(2)N(3)O(4) (-), the dihedral angles between the phenyl rings and the plane defined by the central guanidinium fragment are in the range 41.3 (1)-66.6 (1)°. The pyrimidine ring of the anion is distorted towards a boat conformation and the nitro group is rotated 11.4 (2)° out of the uracil plane. Hydrogen bonds assemble the ions in infinite helical chains along the b axis. ...[more]

PMID: 21202598

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