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1-Amino-5-(4-methyl-benzo-yl)-4-(4-methyl-phen-yl)pyrimidin-2(1H)-one.

ABSTRACT: In the title compound, C(19)H(17)N(3)O(2), the dihedral angles between the pyrimidine ring and the two benzene rings are 34.87 (12) (for the directly-bonded ring) and 69.57 (12)°. An intra-molecular N-H⋯O hydrogen bond occurs. The crystal packing features inter-molecular N-H⋯O hydrogen bonds.

SUBMITTER: Ozturk Yildirim S

PROVIDER: S-EPMC3238961 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-[Amino-(3-methyl-phen-yl)methyl-idene]-2-(3-methyl-phen-yl)-1H-imidazol-5(4H)-one ethanol hemisolvate.

Project description:In the title compound, C(18)H(17)N(3)O·0.5C(2)H(5)OH, the dihedral angles between the central imidazole rings and the pendant benzene rings are 42.06?(15) and 2.01?(16)° in one asymmetric mol-ecule and 47.91?(15) and 7.31?(14)° in the other. An intra-molecular N-H?O hydrogen bond occurs in each imidazole mol-ecule. In the crystal, the components are connected by O-H?N, N-H?O, C-H?O and N-H?N hydrogen bonds. Weak aromatic ?-? inter-actions also occur [shortest centroid-centroid distance = 3.684?(3)?Å].

| S-EPMC3569236 | biostudies-literature

5-Acetyl-4-(4-methoxy-phen-yl)-6-methyl-3,4-dihydro-pyrimidin-2(1H)-one.

Project description:In the title mol-ecule, C(14)H(16)N(2)O(3), the heterocyclic ring adopts a flattened boat conformation, and the plane through its four coplanar atoms makes a dihedral angle of 89.65 (7)° with the benzene ring. The non-H atoms of the carbonyl, acetyl and methyl groups are nearly coplanar with the attached heterocyclic ring. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds are present in the crystal structure.

| S-EPMC2967942 | biostudies-literature

5-Acetyl-4-(2-chloro-phen-yl)-6-methyl-3,4-dihydro-pyrimidin-2(1H)-one.

Project description:In the title mol-ecule, C(13)H(13)ClN(2)O(2), the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an equatorial orientation. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds lead to a tape motif. The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation.

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{2-[(1H-Indol-3-yl-methyl-idene)amino]-4,5,6,7-tetra-hydro-benzo[b]thio-phen-3-yl}(phen-yl)methanone.

Project description:The title compound, C24H20N2OS, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, in each of which the cyclo-hexene rings adopt half-chair conformations. The mean plane of the indole ring is twisted from those of the phenyl and thio-phene rings by 69.0 (7) and 8.3 (5)°, respectively, in mol-ecule A and by 65.4 (9) and 6.7 (5)°, respectively, in mol-ecule B. The dihedral angles between the mean planes of the phenyl and thio-phene rings are 63.0 (4) and 58.8 (9)° in mol-ecules A and B, respectively. In the crystal, N-H⋯O hydrogen bonds lead to the formation of an infinite chain along [101]. In addition, π-π stacking inter-actions are observed involving the thio-phene and pyrrole rings of the two mol-ecules, with a shortest inter-centroid distance of 3.468 (2) Å.

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2-[2-(Methyl-amino)-benzo-yl]-2,3,4,9-tetra-hydro-1H-pyrido[3,4-b]indol-1-one.

Project description:The title compound, C(19)H(17)N(3)O(2), was obtained from fruits of Evodia Rutaecarpa. In the solid state, the dihedral angle between the 2,3,4,9-tetra-hydro-1H-pyrido[3,4-b]indol-1-one (tetra-hydro-?-carbolinone) unit and the benzoyl ring is 61.46?(3)°. In the crystal, dimers are formed through inter-molecular N-H?O hydrogen-bonding inter-actions. In addition, intra-molecular N-H?O hydrogen bonds are also observed. C-H?? contacts connect the dimers, leading to the formation of a three-dimensional supra-molecular network.

| S-EPMC2979469 | biostudies-literature

4-[(Z)-Allyl-amino-(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:The title compound, C(20)H(19)N(3)O, exists in a keto-enamine tautomeric form. The pyrazolone ring makes dihedral angles of 20.52?(10) and 77.73?(5)° with the two phenyl rings and an intra-molecular N-H?O hydrogen bond occurs. A weak inter-molecular C-H?O hydrogen bond is observed in the crystal structure. The allyl group is disordered over two positions, with site-occupancy factors of 0.533?(5) and 0.467?(5).

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4-{4-Methyl-2-[(meth-yl)(2-methyl-phen-yl)amino]-1,3-thia-zol-5-yl}-N-(3-methyl-phen-yl)pyrimidin-2-amine.

Project description:In the title compound, C(23)H(23)N(5)S, the thia-zole ring and pyrimidine ring are almost coplanar, making a dihedral angle of 4.02?(9)°. in the crystal, weak inter-molecular N-H?N inter-actions link pairs of molecules into centrosymmetric dimers.

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2-[(4,6-Di-amino-pyrimidin-2-yl)sulfan-yl]-N-(2-methyl-phen-yl)acetamide.

Project description:In the title compound, C13H15NOS, the plane of the pyrimidine ring makes a dihedral angle of 54.73?(9)° with that of the o-tolyl ring. The mol-ecule adopts an extended conformation, which is evident from the C-C(=O)-N-Car (ar = aromatic) torsion angle of 178.42?(15)°. In the crystal, mol-ecules are linked via pairs of N-H?N hydrogen bonds, forming inversion dimers with an R (2) 2(8) ring motif. The dimers are linked by N-H?O and C-H?O hydrogen bonds, with the O atom accepting three such interactions, forming sheets parallel to (100).

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5-Benzoyl-4-(4-fluoro-phen-yl)-3,4-dihydro-pyrimidin-2(1H)-one.

Project description:In the title mol-ecule, C(17)H(13)FN(2)O(2), the 3,4-dihydro-pyrimidine ring adopts a flattened sofa conformation with the flap atom (which bears the fluoro-phenyl substituent) deviating from the plane defined by the remaining five ring atoms by 0.281?(2)?Å. This plane forms dihedral angles of 85.98?(6) and 60.63?(6)° with the 4-fluoro-phenyl and benzoyl-phenyl rings, respectively. The dihedral angle between the 4-fluoro-phenyl group and the benzene ring is 71.78?(6)°. In the crystal, N-H?O hydrogen bonds link mol-ecules into inversion dimers that are further connected by another N-H?O inter-action into a two-dimensional supra-molecular structure parallel to (101).

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4-{(Z)-(sec-Butyl-amino)(phen-yl)methyl-ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the title compound, C(21)H(23)N(3)O, the dihedral angles formed by the pyrazolone ring with two phenyl rings are 10.38?(8) and 76.94?(6)°. The sec-butyl-amino group is disordered over two positions, with refined site-occupancy factors of 0.730?(4) and 0.270?(4). The compound could potentially be ligand stabilized in the solid state in a keto-enamine tautomeric form. The amine functionality is involved in an intra-molecular N-H?O hydrogen bond, while weak inter-molecular C-H?O and C-H?N hydrogen bonds participate in the formation of the crystal structure.

| S-EPMC2970147 | biostudies-literature

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