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4,6-Dimeth-oxy-2-(methyl-sulfan-yl)pyrimidinium chloride.

ABSTRACT: In the title compound, C(7)H(11)N(2)O(2)S(+)·Cl(-), the 4,6-dimeth-oxy-2-(methyl-sulfan-yl)pyrimidinium cation is essentially planar (r.m.s. deviation = 0.043 Å). In the crystal, the anions and cations are connected by inter-molecular N-H⋯Cl and C-H⋯Cl hydrogen bonds, forming a two-dimensional network parallel to (011). Adjacent networks are cross-linked via π-π inter-actions involving the pyrimidinium ring [centroid-centroid distance = 3.5501 (8) Å].

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC2979986 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4,6-Dimeth-oxy-2-(methyl-sulfan-yl)pyrimidine.

Project description:The title compound, C(7)H(10)N(2)O(2)S, is essentially planar [maximum deviation 0.018?(4)?Å]. In the crystal, mol-ecules are linked into chains by C-H?N hydrogen bonds and the chains are arranged in layers parallel to the ab plane.

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4,6-Dimeth-oxy-2-(methyl-sulfan-yl)pyrimidine-4-hy-droxy-benzoic acid (1/1).

Project description:The base mol-ecule of the title co-crystal, C7H10N2O2S·C7H6O3, is essentially planar, with a maximum deviation of 0.0806?(14)?Å for all non-H atoms. The acid mol-ecule is also nearly planar, with a dihedral angle of 8.12?(14)° between the benzene ring and the carb-oxy group. In the crystal, the acid mol-ecules form an inversion dimer through a pair of O-H?O hydrogen bonds with an R2(2)(8) ring motif. The pyrimidine mol-ecules are linked on both sides of the dimer into a heterotetra-mer via O-H?N and C-H?O hydrogen bonds with R2(2)(8) ring motifs. The heterotetra-mers are further linked by weak C-H?O hydrogen bonds, forming a tape structure along [1-10].

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4,6-Dimeth-oxy-2-(methyl-sulfon-yl)pyrimidine.

Project description:The asymmetric unit of the title compound, C(7)H(10)N(2)O(4)S, comprises of two independent mol-ecules (A and B) which differ in the orientation of the methyl-sulfonyl group [C-S-C-N = 157.98?(13)° in mol-ecule A and 6.09?(18)° in mol-ecule B]. In the crystal structure, mol-ecules of type A are linked into chains along the a axis by inter-molecular C-H?O hydrogen bonds. The B mol-ecules are linked to these chains by C-H?O hydrogen bonds.

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Methyl 2,6-bis-[(5-bromo-4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]benzoate.

Project description:In the title compound, C(20)H(18)Br(2)N(4)O(8), the inter-planar angle of the pyrimidine rings is 75.1 (2)°. The central benzene ring is inclined at inter-planar angles of 66.5 (2) and 71.9 (2)° with respect to the two pyrimidine rings. In the crystal structure, adjacent mol-ecules are connected into two-mol-ecule-thick arrays parallel to the bc plane via short Br⋯Br [3.5328 (12) Å] and Br⋯O [3.206 (3) and 3.301 (4) Å] inter-actions. A weak inter-molecular π-π aromatic stacking inter-action [centroid-centroid distance = 3.526 (3) Å] is also observed.

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N-(4,6-Dimeth-oxy-pyrimidin-2-yl)-2-(3-methyl-phen-yl)acetamide.

Project description:In the title compound, C(15)H(17)N(3)O(3), the dihedral angle between the pyrimidine and benzene rings is 87.0?(7)°. In the crystal, mol-ecules are linked into inversion dimers with R(2) (2)(8) graph-set motifs by a pair of N-H?O hydrogen bonds. Weak C-H?O hydrogen bonds and inter-molecular ?-? inter-actions [centroid-centroid distance = 3.544?(1)?Å] are also observed.

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N-Cyclo-hexyl-N-{[3-(4,6-dimeth-oxy-pyrimidin-2-yl-oxy)pyridin-2-yl]meth-yl}4,6-dimeth-oxy-pyrimidin-2-amine.

Project description:In the title compound, C(24)H(30)N(6)O(5), the cyclo-hexyl ring adopts a chair conformation, while the remainder of the mol-ecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04?(12) and 75.99?(9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56?(15)° between them. They are also involved in an intra-molecular ?-? stacking inter-action with a distance of 3.6627?(18)?Å between the ring centroids. In the crystal, C-H?O contacts link the mol-ecules into chains along the b axis.

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2-[(4,6-Dimeth-oxy-pyrimidin-2-yl)-oxy]benzaldehyde.

Project description:In the title compound, C(13)H(12)N(2)O(4), the dihedral angle between the benzene and pyrimidine rings is 55.57?(13)°. The carbonyl group and the two methoxyl groups are approximately coplanar with the benzene ring and pyrimidine ring; the C-C-C-O, C-O-C-N and C-O-C-C torsion angles being -6.1?(5), -4.8?(4) and 179.9?(3)°, respectively. In the crystal, mol-ecules are linked via C-H?O inter-actions, forming chains propagating along [110].

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Crystal structure of (E)-4,6-dimeth-oxy-2-(4-meth-oxy-styr-yl)-3-methyl-benzaldehyde.

Project description:In the title mol-ecule, C19H20O4, the central C=C double bond adopts an E configuration. The dihedral angle formed by the planes of the two benzene rings is 83.57?(12)°. The three meth-oxy groups are essentially coplanar with the benzene rings to which they are attached, with C C-O-C torsion angles of -0.2?(3), -2.3?(3) and -4.1?(3)°.

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Methyl 2-{N-[2-(2,4-dichloro-phen-oxy)acet-yl]-4-[(4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]anilino}propano-ate.

Project description:In the title mol-ecule, C(24)H(23)Cl(2)N(3)O(7), the central benzene ring forms dihedral angles of 65.71?(1) and 44.42?(1)° with the pyrimidine ring and the terminal benzene ring, respectively. In the crystal, molecules are linked via C-H?O hydrogen bonds.

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2-[4-(Chloro-meth-yl)phen-oxy]-4,6-dimeth-oxy-pyrimidine.

Project description:The title compound, C(13)H(13)ClN(2)O(3), was synthesized in the course of the search for novel bioactive pyrimidine derivatives. The C-O-C angle at the phen-oxy O atom is widened to 119.87 (18)°. The dihedral angle between the pyrimidine and benzene rings is 64.2 (3)°.

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