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

ABSTRACT: 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)°.

SUBMITTER: Shen SH

PROVIDER: S-EPMC3393921 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

| S-EPMC3007508 | biostudies-literature

2-[3,5-Bis(4-meth-oxy-phen-yl)-4,5-di-hydro-1H-pyrazol-1-yl]-4,6-bis-(4-meth-oxy-phen-yl)pyrimidine.

Project description:In the title compound, C(35)H(32)N(4)O(4), the pyrazole ring forms a dihedral angle of 15.04?(8)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.95?(8) and 1.86?(7)° with its adjacent meth-oxy-substituted benzene rings, whereas the equivalent angles are 80.24?(9) and 11.55?(9)° for the pyrazole ring and its adjacent benzene rings. The crystal packing features ?-? inter-actions, the centroid-centroid distance between the pyrimidine and methoxyphenyl rings being 3.604?(1)?Å. The pyrazole ring is nearly planar, with a maximum deviation of 0.020?(3)?Å for the -CH(2)- carbon.

| S-EPMC3414322 | biostudies-literature

[2,7-Dimeth-oxy-8-(4-meth-oxy-benzo-yl)naphthalen-1-yl](4-meth-oxy-phen-yl)methanone chloro-form monosolvate.

Project description:In the title compound, C28H24O6·CHCl3, the two 4-meth-oxy-benzoyl groups at the 1- and 8-positions of the naphthalene ring system are aligned almost anti-parallel, the benzene rings making a dihedral angle of 25.76?(7)°. The naphthalene ring system makes dihedral angles of 72.51?(7) and 73.33?(7)° with the benzene rings. In the crystal, the naphthalene mol-ecules are linked by C-H?O inter-actions, forming a helical chain along the b-axis direction. A C-H?Cl inter-action is also observed between the aroylated naphthalene and chloro-form mol-ecules. The chloro-form mol-ecule is disordered over two positions with site occupancies of 0.478?(5) and 0.522?(5).

| S-EPMC3588358 | 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

(2,7-Dimeth-oxy-naphthalen-1-yl)(4-meth-oxy-phen-yl)methanone.

Project description:In the mol-ecule of the title compound, C20H18O4, the dihedral angle between the naphthalene ring system and the benzene ring is 81.74?(5)°. An inter-molecular C-H?O inter-action is formed between an H atom at the 6-position of the naphthalene ring and the O atom of the meth-oxy group at the 7-position.

| S-EPMC3588548 | biostudies-literature

2-(2-Chloro-phen-yl)-3-(3,4-dimeth-oxy-phen-yl)quinoxaline.

Project description:The title compound, C(22)H(17)ClN(2)O(2), was synthesized by the condensation reaction between 1,2-phenyl-enediamine and 2-chloro-3',4'-dimeth-oxy-benzil in boiling acetic acid. The chloro-phenyl and dimeth-oxy-phenyl rings make dihedral angles of 78.45?(5) and 35.60?(4)°, respectively, with the quinoxaline unit.

| S-EPMC3007581 | biostudies-literature

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.

| S-EPMC2977336 | biostudies-other

(E)-1-(2-Hy-droxy-4,6-dimeth-oxy-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one from Kaempferia rotunda Val.

Project description:The planar -CH=CHC(=O)- fragment (r.m.s. deviation = 0.074?Å) in the title compound, C(18)H(18)O(5), connects the planar hy-droxy-dimeth-oxy-phenyl (r.m.s. deviation = 0.039?Å) and meth-oxy-lphenyl (r.m.s. deviation = 0.021?Å) parts. The central fragment forms a dihedral angle of 13.7?(1)° with the hy-droxy-dimeth-oxy-phenyl part and 32.0?(1)° with the meth-oxy-phenyl part. The hy-droxy group forms an intra-molecular hydrogen bond to the carbonyl O atom.

| S-EPMC3009218 | biostudies-literature

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

(E)-1-[2-Hy-droxy-4,6-bis-(meth-oxy-meth-oxy)phen-yl]-3-[3-meth-oxy-4-(meth-oxy-meth-oxy)phen-yl]prop-2-en-1-one.

Project description:The title compound, C(22)H(26)O(9), crystallizes with two independent mol-ecules in the asymmetric unit in which the dihedral angles between the two benzene rings are 21.4?(2) and 5.1?(2)°. An intra-molecular O-H?O hydrogen bond occurs in each mol-ecule. Inter-molecular C-H?O hydrogen bonds stabilize the crystal structure.

| S-EPMC3247344 | biostudies-literature

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