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Trimethyl-ammonium 2,6-dioxo-5-(2,4,6-trinitro-phen-yl)-1,2,3,6-tetra-hydro-pyrimidin-4-olate.

ABSTRACT: IN THE TITLE BARBITURATE SALT (TRIVIAL NAME: trimethyl-ammonium 2,4,6-trinitro-phenyl-barbiturate), C(3)H(10)N(+)·C(10)H(4)N(5)O(9) (-), the asymmetric unit contains two sets of anion-cation moieties. The dihedral angle between the rings in the anions are 44.0?(3) and 45.7?(3)°. Adjacent anions are connected into ribbons along [100] through R(2) (2)(8) ring motifs formed by N-H?O hydrogen bonds involving the barbiturate rings. Attached to both sides of these ribbons via N-H?O hydrogen bonds are the trimethyl-ammonium cations. C-H?O hydrogen bonds are also observed.

SUBMITTER: Kalaivani D

PROVIDER: S-EPMC3254393 | biostudies-other | 2012 Jan

REPOSITORIES: biostudies-other

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Trimethyl-ammonium 2,6-dioxo-5-(2,4,6-trinitro-phen-yl)-1,2,3,6-tetra-hydro-pyrimidin-4-olate.

Kalaivani D D Buvaneswari M M Rajeswari S S

Acta crystallographica. Section E, Structure reports online 20111207 Pt 1

IN THE TITLE BARBITURATE SALT (TRIVIAL NAME: trimethyl-ammonium 2,4,6-trinitro-phenyl-barbiturate), C(3)H(10)N(+)·C(10)H(4)N(5)O(9) (-), the asymmetric unit contains two sets of anion-cation moieties. The dihedral angle between the rings in the anions are 44.0 (3) and 45.7 (3)°. Adjacent anions are connected into ribbons along [100] through R(2) (2)(8) ring motifs formed by N-H⋯O hydrogen bonds involving the barbiturate rings. Attached to both sides of these ribbons via N-H⋯O hydrogen bonds are ...[more]

PMID: 22259534

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