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

ABSTRACT: In the crystal structure of the title compound, C(7)H(10)N(4)S, weak inter-molecular N-H⋯S inter-actions form a two-dimensional network parallel to the ab plane. An intra-molecular N-H⋯N hydrogen bond occurs.

SUBMITTER: Saeed S

PROVIDER: S-EPMC3238992 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(4,6-Dimethyl-pyrimidin-2-yl)-3-(3,5-dinitro-benzo-yl)thio-urea monohydrate.

Project description:The organic molecule in the title mol-ecule, C(14)H(12)N(6)O(5)S·H(2)O, is roughly planar with a maximum deviation of 0.156?(2)?Å. An intra-molecular N-H?N hydrogen bond occurs. In the crystal, inter-molecular N-H?O and O-H?O hydrogen-bonding inter-actions connect the mol-ecules into a two-dimensional network that lies parallel to (101).

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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.

Project description:Bis[2-(4,6-dimethyl-pyrimidin-2-ylsulfan-yl)eth-yl]amine under hydro-thermal conditions has unexpectedly been transformed into the title compound, C(32)H(44)N(10)S(4). In the title mol-ecule, the zigzag 3,10-diaza-6,7-disulfanyldodecyl skeleton has two dimethyl-pyrimidinylsulfanyl groups at both ends, and the aza atoms each carry a dimethyl-pyrimidinyl unit. The N atoms in the skeleton show a planar coordination.

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

Project description: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.

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4,6-Dimethyl-2-thioxo-1,2-dihydro-pyrimidin-3-ium chloride-thio-urea (1/1).

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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1-(2-Chloro-benzo-yl)-3-(pyrimidin-2-yl)thio-urea.

Project description:In the title compound, C12H9ClN4OS, the carbonyl group is at a cis position with respect to the thio-urea unit. The dihedral angle between the phenyl and pyrimidine ring is 16.49?(6)°. An intra-molecular N-H?N hydrogen bond stabilizes the mol-ec-ular conformation. In the crystal, N-H?N, C-H?O and C-H?S hydrogen bonds generate chains along the bc axis.

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N-(4,6-Dimethyl-pyrimidin-2-yl)-1H-benzimidazol-2-amine.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(13)N(5). In each mol-ecule, an amino N atom is connected to a benzimidazole fused-ring system and a pyrimidine ring [these are aligned at 1.3?(1)° in one independent mol-ecule and at 5.4?(1)° in the other]. The amino N atom of the fused ring forms an intra-molecular N-H?O hydrogen bond to a pyrimidine N atom in each mol-ecule. The amino N atom connecting the two ring systems inter-acts with the other N atom of the pyrimidine ring of an adjacent mol-ecule, generating centrosymmetric hydrogen-bonded dimers.

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Bis(4,6-diamino-pyrimidin-2-yl) disulfide dimethyl sufoxide disolvate.

Project description:The title compound, C(8)H(10)N(8)S(2)·2C(2)H(6)SO, was obtained unintentionally during an attempt to prepare a thiol-ate derivative of trimethyl-tin. The complete disulfide mol-ecule is generated by twofold rotation symmetry and the C-S-S-C torsion angle around the S-S bond is -85.70?(10)°. The mol-ecules are connected via N-H?N hydrogen bonds into strongly corrugated layers parallel to (001), generating an R(2) (2)(8) motif. The solvent mol-ecule, which exhibits minor disorder of its S atom [site occupancies = 0.9591?(18) and 0.0409?(18)], is linked to this layer via a pair of N-H?O inter-actions.

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2-(4,6-Dimethyl-pyrimidin-2-ylsulfan-yl)-N-phenyl-acetamide.

Project description:In the title compound, C(14)H(15)N(3)OS, the phenyl ring is almost perpendicular to the dimethyl-pyrimidine group, with a dihedral angle of 88.1 (3)°. The Csp(2)-S bond of 1.759 (3) Å is significantly shorter than the Csp(3)-S bond of 1.795 (3) Å due to the p-π conjugation.

| S-EPMC2960928 | biostudies-literature

Di-?-bromido-bis-({2-[(4,6-dimethyl-pyrimidin-2-yl)disulfan-yl]-4,6-dimethyl-pyrimidine-?(2)N(1),S(2)}copper(I)).

Project description:The title dinuclear complex, [Cu(2)Br(2)(C(12)H(14)N(4)S(2))(2)], is located about an inversion center. The Cu(I) ion is coordinated in a distorted tetra-hedral geometry by two bridging Br atoms in addition to an N and an S atom from the 2-[(4,6-dimethyl-pyrimidin-2-yl)disulfan-yl]-4,6-dimethyl-pyrimidine ligand. In the crystal, ?-? stacking inter-actions are observed with a centroid-centroid distance of 3.590?(2)?Å.

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N-(2-Chloro-phen-yl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfan-yl)acetamide.

Project description:In the title compound, C(14)H(14)ClN(3)OS, the 4,6-dimethyl-pyrimidine ring and the chloro-benzene ring subtend a dihedral angle of 80.0?(2)°. The length of the Csp(2)-S bond is significantly shorter than that of the Csp(3)-S bond. The crystal structure is stabilized by inter-molecular N-H?O, C-H?O and C-H?N hydrogen bonding, and C-H?? inter-actions.

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