Gerhardt, Valeska’s team published research in Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials in 71 | CAS: 608-34-4

Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, SDS of cas: 608-34-4.

Gerhardt, Valeska published the artcileCocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives, SDS of cas: 608-34-4, the publication is Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials (2015), 71(2), 209-220, database is CAplus and MEDLINE.

In order to obtain complexes held together by hydrogen as well as halogen bonds, 6-chlorouracil [6-chloropyrimidin-2,4(1H,3H)-dione; 6CU] and its 3-Me derivative [6-chloro-3-methylpyrimidin-2,4(1H,3H)-dione; M6CU] were cocrystd. with 2,4,6-triaminopyrimidine and the three triazine derivatives 2,4,6-triamino-1,3,5-triazine (melamine), 2,4-diamino-6-methyl-1,3,5-triazine and 2-chloro-4,6-diamino-1,3,5-triazine, which all offer complementary hydrogen-bonding sites. Three of these compounds form cocrystals with 6CU; however, melamine yielded only a new pseudopolymorph with 6CU, but formed a cocrystal with M6CU. All six cocrystals contain solvent mols. (N,N-dimethylformamide, N,N-dimethylacetamide or N-methylpyrrolidin-2-one), whose intermol. interactions contribute significantly to the stabilization of the crystal packing. Each of these structures comprises chains, which are primarily formed by strong hydrogen bonds with a basic framework built by R 2 2(8) hydrogen bonds of either pure N-H···N or mixed patterns. Solvent mols. are aligned to the border of these chains via N-H···O hydrogen bonds. Two of the reported crystal structures containing 6CU show addnl. Cl···O halogen bonds, which connect the chains to two-dimensional layers, while one weak and one strong Cl···Cl interaction are observed in the two structures in which mols. of M6CU are present.

Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, SDS of cas: 608-34-4.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia