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7-(1,3-Dioxolan-2-ylmethyl)-1,3-di-methyl-2,6-dioxo-2,3,6,7-tetra-hydro-1H-purin-9-ium tetra-chloridoferrate(III).

ABSTRACT: The asymmetric unit of the title compound, (C(11)H(15)N(4)O(4))[FeCl(4)], contains two independent protonated 7-(1,3-dioxolan-2-ylmeth-yl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (doxofyllinium) and two tetrahedral tetra-chlorido-ferrate(III) anions. In the doxofyllinium, two disordered methyl-ene C atoms are observed in each dioxolane ring with an occupancy ratio of 0.54?(4):0.46?(4). In the crystal, mol-ecules are connected by N-H?O hydrogen bonds and weak C-H?O and C-H?Cl inter-actions.

SUBMITTER: Wang PP

PROVIDER: S-EPMC2983145 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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7-(1,3-Dioxolan-2-ylmethyl)-1,3-di-methyl-2,6-dioxo-2,3,6,7-tetra-hydro-1H-purin-9-ium tetra-chloridoferrate(III).

Wang Ping Ping PP Gong Jiang J Ni Shi-Feng SF

Acta crystallographica. Section E, Structure reports online 20100911 Pt 10

The asymmetric unit of the title compound, (C(11)H(15)N(4)O(4))[FeCl(4)], contains two independent protonated 7-(1,3-dioxolan-2-ylmeth-yl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (doxofyllinium) and two tetrahedral tetra-chlorido-ferrate(III) anions. In the doxofyllinium, two disordered methyl-ene C atoms are observed in each dioxolane ring with an occupancy ratio of 0.54 (4):0.46 (4). In the crystal, mol-ecules are connected by N-H⋯O hydrogen bonds and weak C-H⋯O and C-H⋯Cl inter-actions. ...[more]

PMID: 21587397

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