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2-Amino-4,6-di-methyl-pyrimidine-sorbic acid (1/1).

ABSTRACT: In the crystal of the title compound, C6H9N3·C6H8O2, the 2-amino-4,6-di-methyl-pyrimidine and sorbic acid mol-ecules are linked through N-H?O and O-H?N hydrogen bonds, which generate a cyclic bimolecular heterosynthon with an R 2 (2)(8) graph-set motif. Further, two inversion-related pyrimidine mol-ecules are base-paired via a pair of N-H?N hydrogen bonds, forming a cyclic bimolecular homosynthon with a graph-set of R 2 (2)(8). A discrete hetero tetra-meric supra-molecular unit along the b axis is formed by the fusion of two heterosynthons and one homosynthon. An aromatic ?-? inter-action [centroid-centroid distance = 3.7945?(16)?Å] is observed between these tetra-meric units.

SUBMITTER: Gomathi S

PROVIDER: S-EPMC3793739 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2-Amino-4,6-di-methyl-pyrimidine-sorbic acid (1/1).

Gomathi Sundaramoorthy S Muthiah Packianathan Thomas PT

Acta crystallographica. Section E, Structure reports online 20130710 Pt 8

In the crystal of the title compound, C6H9N3·C6H8O2, the 2-amino-4,6-di-methyl-pyrimidine and sorbic acid mol-ecules are linked through N-H⋯O and O-H⋯N hydrogen bonds, which generate a cyclic bimolecular heterosynthon with an R 2 (2)(8) graph-set motif. Further, two inversion-related pyrimidine mol-ecules are base-paired via a pair of N-H⋯N hydrogen bonds, forming a cyclic bimolecular homosynthon with a graph-set of R 2 (2)(8). A discrete hetero tetra-meric supra-molecular unit along the b axis ...[more]

PMID: 24109326

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Crystal structure of 4,6-di-chloro-5-methyl-pyrimidine.

Project description:The title compound, C5H4Cl2N2, is essentially planar with an r.m.s. deviation for all non-H atoms of 0.009 Å. The largest deviation from the mean plane is 0.016 (4) Å for an N atom. In the crystal, mol-ecules are linked by pairs of C-H⋯N hydrogen bonds, forming inversion dimers, enclosing an R (2) 2(6) ring motif.

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Crystal structure of 2-butyl-sulfanyl-4,6-bis-[(E)-4-(di-methyl-amino)-styr-yl]pyrimidine.

Project description:In the title compound, C28H34N4S, the dihedral angles between the pyrimidine ring and the pendant 4-(di-methyl-amino)-benzene rings are 14.20 (5) and 14.56 (4)°. The butyl side chain adopts an anti conformation [C-C-C-C = -171.53 (13)°]. No directional inter-actions beyond van der Waals contacts occur in the crystal structure The title mol-ecule has a D-A-D structure, in which the pyrimidine ring is the electron-withdrawing part and the 4-(di-methyl-amino)-benzene rings are the electron-donating parts.

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5-{[4-(Di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine-1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene (1/2).

Project description:The treatment of 5-{[4-(di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine with a threefold excess of 1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene in di-chloro-methane solution led to the formation of the unexpected 1:2 title co-crystal, C14H13N3·2CF4I2. In the extended structure, two unique C-I⋯N halogen bonds from one of the 1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene mol-ecules to the pyrimidine N atoms of the 5-{[4-(di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine mol-ecule generate [110] chains and layers of these chains are π-stacked along the a-axis direction. The second 1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene mol-ecule resides in channels formed parallel to the a-axis direction between stacks of 5-{[4-(di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine mol-ecules and inter-acts with them via C-I⋯π(alkyne) contacts.

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(2-Amino-4,6-dimethyl-pyrimidine-?N)(2-amino-4-methyl-pyrimidine-?N)silver(I) nitrate.

Project description:Colourless crystals of the title compound, [Ag(C(5)H(7)N(3))(C(6)H(9)N(3))]NO(3), separated out of a solution of 2-amino-4-methyl-pyrimidine, 2-amino-4,6-dimethyl-pyrimidine and silver nitrate in water and methanol. The central Ag(I) ion is coordinated by two different N atoms in the aromatic rings of the ligands, with an N-Ag-N angle of 173.9?(2)°. The crystal structure is composed of two complexed cations and stabilized by an inter-molecular N-H?O and N-H?N hydrogen-bond network and there is ?-? stacking of the aromatic rings [inter-planar distance 3.651?(10)?Å].

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(2-Amino-4,6-dimethyl-pyrimidine-?N)(2-amino-4-methyl-pyrimidine-?N)silver(I) perchlorate.

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Aqua-chlorido-(2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) chloride hydrate.

Project description:A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine (L1) is reported. The single-crystal X-ray structure of aqua-[aqua/chlorido-(0.49/0.51)](2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) 0.49-chloride 1.51-hydrate, [CuCl1.51(C10H13N7S)(H2O)1.49]Cl0.49·1.51H2O or [(L1)Cl1.51(H2O)1.49Cu]0.49Cl·1.51H2O, exhibits distorted square-pyramidal geometry around the metal centre, with disorder in the axial position, occupied by chloride or water. The six-membered metal-chelate ring is in a boat conformation, and short inter-molecular S⋯S inter-actions are observed. In addition to its capacity for bidentate metal coordination, the ligand has the ability to engage in further supra-molecular inter-actions as both a hydrogen-bond donor and acceptor, and multiple inter-actions with lattice solvent water mol-ecules are present in the reported structure.

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2-Amino-4,6-dimethyl-pyrimidine-anthranilic acid (1/1).

Project description:In the title 1:1 adduct, C(6)H(9)N(3)·C(7)H(7)NO(2), the crystal structure is stabilized by hydrogen bonds involving two different R(2) (2)(8) motifs. One of them is formed by the inter-action of 2-amino-4,6-dimethyl-pyrimidine (AMPY) with the carboxyl group of anthranilic acid (AA) through N-H?O and O-H?N hydrogen bonds, whereas the other is formed through the inter-action of two centrosymmetrically related pyrimidines involving N-H?N hydrogen bonds. These two combined motifs form a heterotetra-mer. The heterotetra-mer sheets are stacked into three-dimensional network.

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2-Methyl-4,6-bis-(1-methyl-hydrazino)pyrimidine.

Project description:In the title compound, C(7)H(14)N(6), the amine groups of the two methyl-hydrazino substituents are orientated in the opposite direction to the methyl substituent at the 2-position of the pyrimidine ring. The mol-ecule is almost planar with only the two amine N atoms lying substanti-ally out of the mean plane of the pyrimidine ring [by 0.1430?(2) and 0.3092?(2)?Å]. The H atoms on these amine groups point inwards towards the aromatic ring, such that the lone pair of electrons points outwards from the mol-ecule. Each mol-ecule is linked to two others through N-H?N hydrogen bonds between the two amino groups, forming a one-dimensional chain in the [010] direction. Offset face-to-face ?-? stacking inter-actions between the pyrimidine rings organize these chains into a two-dimensional array [centroid-centroid distance = 3.789?(2)?Å].

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4,6-Di-bromo-N-{3-[(4,6-di-bromo-2,3-di-methyl-phenyl)imino]butan-2-yl-idene}-2,3-di-methyl-aniline.

Project description:The title compound, C20H20Br4N2, is a product of the condensation reaction of 4,6-di-bromo-2,3-di-methyl-aniline and butane-2,3-dione. The mol-ecule has a center of symmetry at the mid-point of the central C-C bond. The dihedral angle between the benzene ring and the 1,4-di-aza-butadiene plane is 78.3?(2)°. Niether hydrogen bonding nor aromatic stacking is observed in the crystal structure.

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2-Amino-4,6-dimethyl-pyrimidine-benzoic acid (1/1).

Project description:The crystal of the title compound, C(6)H(9)N(3)·C(7)H(6)O(2), contains tetra-meric hydrogen-bonded units comprising a central pair of 2-amino-pyrimidine mol-ecules linked across a centre of inversion by N-H?N hydrogen bonds and two pendant benzoic acid mol-ecules attached through N-H?O and O-H?N hydrogen bonds. These hydrogen-bonded units are arranged into layers in (002).

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