Potassium thyminate trihydrate, K(C₅H₅N₂O₂).3H₂O

Abstract

K(CsHsN2OE).3H20, monoclinic, P2~/c, Z = 4, a = 11.676(3), b = 6-572(2), c = 13.072(2) A, fl --110.24(2) ° , V = 941.1 (4) ,/k 3, D c --1.54, D o = 1.55 (1) Mg m -a. The structure was determined by direct methods and refined to R w = 0.063. The dimensions of the thyminate ion differ significantly from those of thymine only in the internal ring angles at the deprotonated N atom (5.6 ° smaller) and adjacent C atoms (5.2 and 3.2 ° larger). The crystal is held together by an extensive hydrogen-bonding network involving the water molecules.

PtII Coordination to N1 of 9‐Methylguanine: Why it Facilitates Binding of Additional Metal Ions to the Purine Ring

“…A second K + ion (K1) is bonded to O6 of a guaninate ligand in a monodentate fashion, and in addition to four cyanido ligands (one side-on contact, three end-on contacts) as well as two water molecules. The K À O6 (9-MeG) bond length of 2.788(5) is close to that found in the K + form of guanine quartets [27] and likewise similar to those observed between K + and carbonyl oxygen atoms of the thymine anion [28] or of N3-platinated 1-methyluracilate. [29] The most interesting binding modes are exhibited by K3 ( Figure 4).…”

Metal-stabilized rare tautomers of nucleobases. 2. 2-Oxo-4-hydroxo form of uracil: crystal structures and solution behavior of two platinum(II) complexes containing iminol tautomers of 1-methyluracil

“…34 As to pyrimidine nucleobases, metal complexes of cytosine residues have been studied most extensively, whereas comparison of metal complexes containing deprotonated, N-bound uracil or thymine with the respective free ligand is hampered by the fact that only a single structure of the anionic ligand is available, that of Nldeprotonated thymine. 35 N1-C2 (B) Distances 1.379 (10); 1.378 (1) (A) 1.386 (7) 1.39 (1)…”

Solid-Phase Synthesis of a Monofunctional trans-a2PtII Complex Tethered to a Single-Stranded Oligonucleotide

“…2: 1-N-Cyclohexylmethylthymine was prepared according to a slightly modified published procedure [13] and converted into its potassium salt. [14] trans-[(NH 2 CH 3 ) 2 PtCl(CHMT)], obtained by a slight modification of a published procedure, [15] was stirred with 1-amino-hexan-6-ol (1 equiv) in methanol/water (1/1) at 60 8C for 72 h to give crystalline 2 in 60 % yield. Automated DNA synthesis: Immobilized d(TTTT) (0.2 mmol) was synthesized on a Gene Assembler (Pharmacia) following a standard protocol, [16] phosphitylated, [10] and allowed to react with 2 (15 mmol, 0.05 m solution in dioxane/acetonitrile (1/1)) in the presence of o-NPT (30 mmol, 0.2 m solution in acetonitrile).…”