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4,6-Dimethyl-pyrimidin-2(1H)-one-urea-water (1/1/1).

ABSTRACT: In the crystal structure of the title compound, C(6)H(8)N(2)O·CH(4)N(2)O·H(2)O, mol-ecules are linked via N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, forming a three-dimensional framework.

SUBMITTER: Wu F

PROVIDER: S-EPMC2961918 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(4,6-Dimethyl-pyrimidin-2-yl)thio-urea.

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Project description:In the title compound, C(6)H(9)N(2)S(+)·Cl(-)·CH(4)N(2)S, the 4,6-di-methyl-2-thioxo-1,2-dihydro-pyrimidin-3-ium cation is proton-ated at one of the pyrimidine N atoms. The cations are bridged by the chloride anions through a pair of N-H⋯Cl hydrogen bonds. The amino groups of each thio-urea adduct inter-act with the chloride anions through a pair of N-H⋯Cl hydrogen bonds and the S atom of another thio-urea adduct through a pair of N-H⋯S hydrogen bonds. These inter-actions result in a layered hydrogen-bonded network propagating parallel to the bc plane. Except for two H atoms, all atoms are on special positions.

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Bis[2-((4,6-dimethyl-pyrimidin-2-yl){2-[(4,6-dimethyl-pyrimidin-2-yl)sulfan-yl]eth-yl}amino)-eth-yl] disulfide.

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Project description:The asymmetric unit of the title compound, C6H9N3, contains three crystallographically independent mol-ecules of similar geometry. All of the mol-ecules are almost planar, with r.m.s. deviations of 0.003, 0.016 and 0.005?Å. In the crystal, the mol-ecules are linked by N-H?N hydrogen bonds into zigzag ribbons parallel to the c axis, generating rings of R2(2)(8) graph-set motif.

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