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1-(4-Fluoro-phen-yl)-2-(1H-imidazol-1-yl)ethanone.

ABSTRACT: In the title compound, C(11)H(9)FN(2)O, the dihedral angle between the rings is 87.50?(4)°. In the crystal, inter-molecular C-H?N hydrogen bonds link the mol-ecules in a stacked arrangement along the c axis.

SUBMITTER: Liu DL

PROVIDER: S-EPMC3213485 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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1-(4-Fluoro-phen-yl)-2-(1H-imidazol-1-yl)ethanone.

Liu Dong-Liang DL Li Chen C Yu Guang-Yan GY Xiao Tao T

Acta crystallographica. Section E, Structure reports online 20110713 Pt 8

In the title compound, C(11)H(9)FN(2)O, the dihedral angle between the rings is 87.50 (4)°. In the crystal, inter-molecular C-H⋯N hydrogen bonds link the mol-ecules in a stacked arrangement along the c axis. ...[more]

PMID: 22091064

Similar Datasets

1-[4-(1H-imidazol-1-yl)phen-yl]ethanone monohydrate.

Project description:In the crystal structure of the title compound, C(11)H(10)N(2)O·H(2)O, the solvent water mol-ecule links the organic mol-ecules through O-H⋯O and O-H⋯N hydrogen bonds, forming chains that run diagonally across the bc face. These chains are connected to adjacent chains through weak C-H⋯O inter-actions, resulting in hydrogen-bonded sheets extending along the b and c axes. The sheets are connected along the a axis through π-π inter-actions, with centroid-centroid distances of 3.7571 (9) and 3.7231 (9) Å.

| S-EPMC3394079 | biostudies-literature

1-(4-Fluoro-phen-yl)-2-(1H-imidazol-1-yl)ethanol.

Project description:In the title compound, C(11)H(11)FN(2)O, the dihedral angle between the mean planes of the two rings is 1.30?(4)°. In the crystal, O-H?N hydrogen bonds link the mol-ecules into chains along the b axis.

| S-EPMC3254495 | biostudies-literature

1-(4-Fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate.

Project description:In the title compound, C(10)H(8)FN(3)O·0.5H(2)O, the dihedral angle between the mean planes of the rings is 99.80 (4)°. The water mol-ecule lies on a twofold axis. Weak inter-molecular O-H⋯N and C-H⋯O hydrogen bonds link one water mol-ecule with four phenyl-ethanone mol-ecules, while inter-molecular C-H⋯O hydrogen bonds involving the ketone group link phenyl-ethanone mol-ecules into layers parallel to (100).

| S-EPMC3238841 | biostudies-literature

1-[3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Project description:In the asymmetric unit of the title compound, C(17)H(14)F(2)N(2)O, there are three independent mol-ecules (A, B and C) which differ slightly in the relative orientations of the two fluoro-phenyl rings. In mol-ecules A and C one of the fluoro-phenyl rings is disordered over two positions, with occupancy ratios of 0.72 (2):0.28 (2) for mol-ecule A and 0.67 (2):0.33 (2) for mol-ecule C. The dihedral angle between the two fluoro-phenyl rings in the independent mol-ecules lie in the range 70.3 (3)-84.0 (3)°. In the crystal structure, the mol-ecules are linked via inter-molecular C-H⋯O and C-H⋯F hydrogen bonds and π⋯π stacking inter-actions [centroid-centroid distance = 3.7508 (13) Å], forming a three-dimensional network.

| S-EPMC2983722 | biostudies-literature

1-[3-(4-Fluoro-phen-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Project description:In the title compound, C(17)H(15)FN(2)O, the pyrazoline ring adopts a flattened envelope conformation. The dihedral angle between the fluoro-substituted benzene ring and the phenyl ring is 69.20 (5)°. In the crystal, a pair of C-H⋯O hydrogen bonds link neighbouring mol-ecules, forming an inversion dimer. The crystal structure is further consolidated by C-H⋯π inter-actions and by a π-π inter-action with a centroid-centroid distance of 3.7379 (6) Å.

| S-EPMC3435661 | biostudies-literature

1-(3,4-Dihydroxy-phen-yl)-2-(4-fluoro-phen-yl)ethanone.

Project description:In the title compound, C(14)H(11)FO(3), the dihedral angle between the aromatic rings is 69.11 (8)°. An intra-molecular O-H⋯O hydrogen bond is present. Inter-molecular O-H⋯O inter-actions help to establish the packing.

| S-EPMC2959813 | biostudies-literature

Methyl 4-[5-(4-fluoro-phen-yl)-4-(pyridin-4-yl)-1H-imidazol-2-ylsulfan-yl]butanoate.

Project description:The title compound, C(19)H(18)FN(3)O(2)S, was synthesized in the course of studies on 2-alkyl-sufanylimidazoles as p38 mitogen-activated protein kinase inhibitors. The synthesis was achieved by nucleophilic substitution of 4-(4-fluoro-phen-yl)-5-(pyridin-4-yl)-1,3-dihydro-imidazole-2-thione with methyl 4-bromo-butanoate. The five-membered heterocycle makes dihedral angles of 32.4?(2) and 18.3?(2)° with the fluoro-phenyl and pyridinyl rings, respectively, indicating a low degree of conjugation between these rings. Intra-molecular C-H?N and inter-molecular N-H?N hydrogen bonds as well as C-H?? inter-actions seem to be effective in stabilization of the crystal structure.

| S-EPMC2961725 | biostudies-literature

4-[4-(1H-Imidazol-4-yl)phen-yl]-1H-imidazole.

Project description:In the mol-ecule of the title compound, C(12)H(10)N(4), the two imidazole substituents are related by inversion symmetry and each forms a dihedral angle of 25.02 (8)° with the benzene ring. In the crystal, mol-ecules are linked through N-H⋯N hydrogen bonds, forming cyclic units [graph-set R(4) (4)(28)], which generate a layered structure extending across (011).

| S-EPMC3435647 | biostudies-literature

2-Azido-1-(4-fluoro-phen-yl)ethanone.

Project description:The crystal structure of the title compound, C(8)H(6)FN(3)O, is stabilized by C-H?O hydrogen bonds, which link the mol-ecules into chains running parallel to the a axis.

| S-EPMC3344193 | biostudies-literature

Tetra-kis{1-[4-(1H-imidazol-1-yl-?N(3))phen-yl]ethanone}bis-(isothio-cyanato-?N)nickel(II).

Project description:The title complex mol-ecule, [Ni(NCS)(2)(C(11)H(10)N(2)O)(4)], has a crystallographically imposed centre of symmetry. The Ni(II) atom is coordinated by the N atoms of two trans-arranged NCS(-) anions and four 1-[4-(1H-imidazol-1-yl)phen-yl]ethan-one ligands in a distorted octa-hedral geometry. In the crystal, C-H?S hydrogen bonds link the complex mol-ecules into chains parallel to the b axis. The chains are further connected by C-H?O hydrogen bonds, forming layers parallel to the bc plane.

| S-EPMC3393218 | biostudies-literature

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