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

ABSTRACT: 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.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3006963 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:In the title compound, C(20)H(18)Cl(2)N(4)O(8), the two pyrimidine rings are inclined at dihedral angles of 66.68?(5) and 71.91?(6)° with respect to the central benzene ring. In the crystal structure, inter-molecular C-H?N hydrogen bonds link neighbouring mol-ecules into a ribbon-like structure along the b axis. The ribbons are inter-connected into a two-dimensional network parallel to the bc plane by short inter-molecular Cl?Cl [3.4427?(6)?Å] and Cl?O [3.1420?(9) and 3.1750?(11)?Å] inter-actions. The crystal structure is further stabilized by inter-molecular ?-? inter-actions [centroid-centroid distance 3.4552?(8)?Å] involving the pyrimidine rings.

| S-EPMC3006847 | biostudies-other

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.

| S-EPMC3254559 | biostudies-literature

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.

| S-EPMC3344196 | biostudies-literature

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].

| S-EPMC3275181 | biostudies-literature

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.

| S-EPMC3393314 | biostudies-literature

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.

| S-EPMC3007508 | biostudies-literature

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

Project description: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].

| S-EPMC2979986 | biostudies-literature

Methyl 4-[N-(5-bromo-pyrimidin-2-yl)carbamo-yl]benzoate.

Project description:In the title compound, C(13)H(10)BrN(3)O(3), the pyrimidine and benzene rings are twisted with an inter-planar angle of 58.4 (1)°. The secondary amide group adopts a cis conformation with an H-N-C-O torsion angle of 14.8 (1)°. In the crystal, mol-ecules are connected into inversion dimers via pairs of N-H⋯N hydrogen bonds, generating an R(2) (2)(8) motif. The dimers are further connected through a C-Br⋯O inter-action [3.136 (1) Å and 169.31 (1)°] into a chain along [110]. Weak C-H⋯N hydrogen bonds between the methyl benzoate groups and pyrimidine rings are also observed in the crystal structure.

| S-EPMC3414950 | biostudies-literature

Methyl 4-(2,7-dimeth-oxy-1-naphtho-yl)benzoate.

Project description:In the title compound, C(21)H(18)O(5), the dihedral angle between the naphthalene ring system and the benzene ring is 86.65?(6)°. The bridging carbonyl C-C(=O)-C plane makes dihedral angles of 83.57?(7) and 20.21?(8)°, respectively, with the naphthalene ring system and the benzene ring. The ester O-C=O plane and the benzene ring are almost coplanar, making a dihedral angle of 3.81?(18)°. The two meth-oxy groups lie essentially in the naphthalene ring plane [C-O-C-C torsion angles = 2.1?(2) and -1.44?(19)°]. In the crystal structure, a centrosymmetric dimer is formed through C-H?O bonds connecting the 7-meth-oxy group and the carbonyl O atom of the ester group. The dimers are further linked by C-H?O hydrogen bonds between the methoxy-carbonyl group and the bridging carbonyl O atom.

| S-EPMC2983753 | biostudies-literature

4-Meth-oxy-benzamidinium 2,6-dimeth-oxy-benzoate.

Project description:The title compound, C(8)H(11)N(2)O(+)·C(9)H(9)O(4) (-), was synthesized by the reaction of 4-meth-oxy-benzamidine (4-amidino-anisole) and 2,6-dimeth-oxy-benzoic acid. The structure consists of non-planar pairs of hydrogen-bonded 4-meth-oxy-benzamidinium cations and 2,6-dimeth-oxy-benzoate anions. In the cation, the amidinium group is tilted by 27.94 (10)° with respect to the benzene ring. In the anion, the sterically bulky ortho-meth-oxy substituents force the carb-oxy-ate group to be twisted away from the plane of the benzene ring by 73.24 (6)°. The ions are further associated in the crystal into chains along the b-axis direction by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC3274967 | biostudies-literature

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