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1.  2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetra­hydro­pyrimidin-5-yl)imino­meth­yl]pyridinium chloride monohydrate 
The title compound, C12H14N5O2 +·Cl−·H2O, is the monohydrate of the hydro­chloride of an oxopurine-derived Schiff base in which protonation took place at the pyridine N atom. The organic cation is essentially planar (r.m.s. of all fitted non-H atoms = 0.0373 Å). In the crystal, N—H⋯O and N—H⋯Cl hydrogen bonds as well as C—H⋯O and C—H⋯Cl contacts connect the different entities into a three-dimensional network. The shortest centroid–centroid distance between two pyrimidine rings is 3.6364 (9) Å.
doi:10.1107/S1600536811033307
PMCID: PMC3200829  PMID: 22065128
2.  2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetra­hydro­pyrimidin-5-yl)imino­meth­yl]pyridinium bromide 
The title compound, C12H14N5O2 +·Br−, is the hydro­bromide salt of a Schiff base in which protonation has taken place at the pyridine N atom. This organic cation is essentially planar (r.m.s. of all fitted non-H atoms = 0.0448 Å). In the crystal, N—H⋯Br hydrogen bonds as well as C—H⋯O and C–H⋯Br inter­actions connect the mol­ecules, forming a three-dimensional network.
doi:10.1107/S1600536811033290
PMCID: PMC3200889  PMID: 22065608
3.  8-(2-Hy­droxy­phen­yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 
The title compound, C13H12N4O3, is an imidazole derivative featuring an annealed purine ring system. The benzimidazole-inspired moiety is essentially planar (r.m.s. of all fitted non-H atoms = 0.0205 Å). An intra­molecular O—H⋯N hydrogen bond occurs. In the crystal, inter­molecular N—H⋯O and C—H⋯O hydrogen bonds are observed, which connect the mol­ecules into chains along [110]. The shortest centroid–centroid distance between two aromatic systems is 3.7771 (11) Å.
doi:10.1107/S1600536811032417
PMCID: PMC3200978  PMID: 22058964
4.  (E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-yl­methyl­idene)amino]­pyrimidine-2,4(1H,3H)-dione 
In the title compound, C12H13N5O2, 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. Intra­cyclic angles in the pyridine moiety cover the range 117.6 (2)–124.1 (2)°. Intra- and inter­molecular N—H⋯N and N—H⋯O hydrogen bonds are observed in the crystal structure, as are intra- and inter­molecular C—H⋯O contacts which, in total, connect the mol­ecules 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.
doi:10.1107/S1600536811031618
PMCID: PMC3200715  PMID: 22065567
5.  A second monoclinic polymorph of 6-amino-1,3-dimethyl-5-[(E)-2-(methyl­sulfan­yl)benzyl­idene­amino]­pyrimidine-2,4(1H,3H)-dione 
A new monoclinic form of the title compound, C14H16N4O2S, has been identified unexpectedly during an attempt to synthesize a coordination compound. The heterocyclic ring is essentially planar (r.m.s. deviation = 0.005 Å) and makes a dihedral angle of 8.77 (5)° with the benzene ring. This is in contrast to 12.24 (7)° reported for the first monoclinic polymorph [Booysen et al. (2011 ▶). Acta Cryst. E67, o1592]. An intra­molecular N—H⋯S hydrogen bond is observed. In the crystal, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into zigzag chains along the b axis. The closest distance between the centroids of symmetry-related heterocyclic rings is 3.5161 (6) Å.
doi:10.1107/S1600536811027322
PMCID: PMC3213476  PMID: 22091055
6.  6-Amino-1,3-dimethyl-5-[(E)-2-(methyl­sulfan­yl)benzyl­idene­amino]­pyrimidine-2,4(1H,3H)-dione 
The title compound, C14H16N4O2S, is a Schiff base derivative of 2-(methyl­sulfan­yl)benzaldehyde. The configuration about the C=N double bond is E. The heterocyclic ring is essentially planar (τ = 3.1°) and makes a dihedral angle of 12.24 (7)° with the benzene ring. An intra­molecular N—H⋯S hydrogen bond is observed. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link mol­ecules into layers perpendicular to [101]. The closest distance between the centroids of two heterocyclic rings was found to be 3.5268 (8) Å.
doi:10.1107/S1600536811020903
PMCID: PMC3151916  PMID: 21837000

Results 1-6 (6)