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(E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-yl-methyl-idene)amino]-pyrimidine-2,4(1H,3H)-dione.

ABSTRACT: In the title compound, C(12)H(13)N(5)O(2), a Schiff-base-derived chelate ligand, the non-aromatic heterocycle and its substituents essentially occupy one common plane (r.m.s. of fitted non-H atoms = 0.0503?Å). The N=C bond is E-configured. Intra-cyclic angles in the pyridine moiety cover the range 117.6?(2)-124.1?(2)°. Intra- and inter-molecular N-H?N and N-H?O hydrogen bonds are observed in the crystal structure, as are intra- and inter-molecular C-H?O contacts which, in total, connect the mol-ecules into a three-dimensional network. The shortest ring-centroid-to-ring-centroid distance of 3.5831?(14)?Å is between the two different types of six-membered rings.

SUBMITTER: Booysen I 

PROVIDER: S-EPMC3200715 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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(E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-yl-methyl-idene)amino]-pyrimidine-2,4(1H,3H)-dione.

Booysen Irvin I   Hlela Thulani T   Ismail Muhammed M   Gerber Thomas T   Hosten Eric E   Betz Richard R  

Acta crystallographica. Section E, Structure reports online 20110811 Pt 9

In the title compound, C(12)H(13)N(5)O(2), a Schiff-base-derived chelate ligand, the non-aromatic heterocycle and its substituents essentially occupy one common plane (r.m.s. of fitted non-H atoms = 0.0503 Å). The N=C bond is E-configured. Intra-cyclic angles in the pyridine moiety cover the range 117.6 (2)-124.1 (2)°. Intra- and inter-molecular N-H⋯N and N-H⋯O hydrogen bonds are observed in the crystal structure, as are intra- and inter-molecular C-H⋯O contacts which, in total, connect the mol-  ...[more]

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