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

ABSTRACT: 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.

SUBMITTER: Balasubramani K

PROVIDER: S-EPMC2977336 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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

Balasubramani Kasthuri K Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20090718 Pt 8

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. ...[more]

PMID: 21583585

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

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

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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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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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Project description:The title compound, C(35)H(30)N(2)S(3), has been synthesized by a solvent-free reaction. The mol-ecule exhibits an E,E configuration, the benzene rings and pyrimidine rings being located on the opposite sides of the C=C bonds. The centroid-centroid separation of 3.5808?(17)?Å indicates the existence of ?-? stacking between nearly parallel pyrimidine and benzene rings of adjacent mol-ecules.

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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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