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1-(4-Fluoro-phen-yl)-5-(4-methoxy-phen-yl)pyrazolidin-3-one.

ABSTRACT: In the mol-ecule of the title compound, C(16)H(15)FN(2)O(2), the benzene rings are oriented at a dihedral angle of 88.61 (3)°. The five-membered ring adopts an envelope conformation. Intra-molecular C-H⋯N hydrogen bonds result in the formation of two planar five-membered rings. In the crystal structure, inter-molecular N-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules, forming R(2) (2)(8) and R(2) (2)(18) ring motifs. Weak C-H⋯π inter-actions may further stabilize the structure.

SUBMITTER: Dai BJ

PROVIDER: S-EPMC2968975 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(4-Isopropyl-phen-yl)-5-(4-methoxy-phen-yl)pyrazolidin-3-one.

Project description:In the mol-ecule of the title compound, C(19)H(22)N(2)O(2), the pyrazolidinone ring has an envelope conformation, with the C atom attached to the 4-methoxy-phenyl ring displaced by 0.354?(3)?Å from the plane of the other ring atoms. The 4-iso-propyl-phenyl ring is oriented with respect to the 4-meth-oxy-phenyl ring at a dihedral angle of 88.94?(3)°. Intra-molecular C-H?N hydrogen bonds result in the formation of two planar five-membered rings, which are oriented with respect to the adjacent 4-isopropyl-phenyl and 4-meth-oxy-phenyl rings at dihedral angles of 4.05?(3) and 0.50?(3)°, respectively. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2961278 | biostudies-literature

5-(3-Fluoro-phen-yl)-1-phenyl-pyrazolidin-3-one.

Project description:In the mol-ecule of the title compound, C(15)H(13)FN(2)O, the phenyl and fluorophenyl rings are oriented at a dihedral angle of 77.92?(3)°. The pyrazolidine ring adopts an envelope conformation. An intra-molecular C-H?N hydrogen bond results in the formation of a five-membered ring adopting an envelope conformation. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules. There are C-H?? contacts between between aromatic H atoms and the phenyl and fluorophenyl rings. A ?-? contact between phenyl rings [centroid-centroid distance = 3.926?(1)?Å] is also observed.

| S-EPMC2959324 | biostudies-literature

3-(4-Fluoro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)FO(2), was prepared from 4-methoxy-hypnone and 4-fluoro-benzophenone by Claisen-Schmidt condensation. All the bond lengths and bond angles are in normal ranges. The dihedral angle formed by the two benzene rings is 33.49?(2)°. The crystal packing is stabilized by inter-molecular C-H?O hydrogen-bonding inter-actions.

| S-EPMC2969700 | biostudies-literature

3-(2-Fluoro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)FO(2), was prepared from 4-methoxy-hypnone and 2-fluoro-benzophenone by a Claisen-Schmidt condensation reaction. The dihedral angle between the two benzene rings is 31.99 (2)°. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds along [010].

| S-EPMC2971992 | biostudies-literature

1-Phenyl-5-[4-(trifluoro-meth-yl)phen-yl]-pyrazolidin-3-one monohydrate.

Project description:In the mol-ecule of the title compound, C(16)H(13)F(3)N(2)O·H(2)O, the two benzene rings are oriented at a dihedral angle of 82.55?(3)° and the pyrazole ring adopts an envelope conformation. In the crystal structure, inter-molecular C-H?F hydrogen bonds link the mol-ecules into chains.

| S-EPMC2959759 | biostudies-literature

3-[5-(4-Fluoro-phen-yl)-1,3,4-thia-diazol-2-yl]-2-(4-methoxy-phen-yl)-1,3-thia-zolidin-4-one.

Project description:The title compound, C(18)H(14)FN(3)O(2)S(2), was synthesized by the reaction of 5-(4-fluoro-phen-yl)-N-(4-methoxy-benzyl-idene)-1,3,4-thia-diazol-2-amine and mercaptoacetic acid. The thia-zolidinone ring adopts a twist conformation. The 4-methoxy-phenyl ring is almost perpendicular to the thia-diazole ring, making a dihedral angle of 88.4?(3)°. The 4-fluoro-phenyl ring is nearly coplanar with the thia-diazole ring, the dihedral angle being 6.8?(3)°. The crystal structure involves C-H?N, C-H?O and C-H?S hydrogen bonds.

| S-EPMC2961680 | biostudies-literature

2-Fluoro-N-(4-methoxy-phen-yl)benzamide.

Project description:In the title compound, C(14)H(12)FNO(2), the fluoro-benzene and methoxy-benzene rings are inclined at 27.06 (7) and 23.86 (7)°, respectively, to the amide portion of the mol-ecule and at 3.46 (9)° to one another. The meth-oxy substituent lies close to the methoxy-benzene ring plane, with a maximum deviation of 0.152 (3) Å for the methyl C atom. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into rows along a. Weak C-H⋯O and C-H⋯F inter-actions further stabilize the packing, forming corrugated sheets in the bc plane.

| S-EPMC2969053 | biostudies-literature

2-(4-Fluoro-phen-yl)-2-oxoethyl 2-methoxy-benzoate.

Project description:In the title compound, C(16)H(13)FO(4), the aromatic rings enclose an angle of 73.68?(6)°. In the crystal, C-H?O and C-H?F contacts connect the mol-ecules into a three-dimensional network. The shortest inter-centroid distance between two aromatic ?-systems is 3.6679?(7)?Å and is apparent between the fluorinated phenyl groups.

| S-EPMC3275257 | biostudies-literature

4-(3-Methoxy-phen-yl)-3-[2-(4-methoxy-phen-yl)eth-yl]-1H-1,2,4-triazol-5(4H)-one.

Project description:The asymmetric unit of the title compound, C(18)H(19)N(3)O(3), contains two crystallographically independent but similar mol-ecules. The triazole ring is oriented with respect to the benzene rings to form dihedral angles of 57.96?(6) and 7.01?(6)° in one mol-ecule, and 64.37?(5) and 10.73?(5)° in the other. The two independent mol-ecules are linked into a dimer by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2968207 | biostudies-literature

4-(4-Methoxy-phen-yl)-3-[2-(2-methoxy-phen-yl)eth-yl]-1H-1,2,4-triazol-5(4H)-one.

Project description:The title compound, C(18)H(19)N(3)O(3), is a biologically active triazole derivative. The five-membered ring is oriented with respect to the six-membered rings at dihedral angles of 51.59?(4) and 61.37?(4)°. The crystal structure is stabilized by inter-molecular N-H?O hydrogen-bond inter-actions between centrosymmetrically related mol-ecules [the dihedral angle between the benzene rings is 47.44?(5)°].

| S-EPMC2968336 | biostudies-literature

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