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(2Z)-2-Fluoro-N-{4-[5-(4-fluoro-phen-yl)-2-methyl-sulfanyl-1H-imidazol-4-yl]-2-pyrid-yl}-3-phenyl-acrylamide.

ABSTRACT: The asymmetric unit of the title compound, C(24)H(18)F(2)N(4)OS, contains two crystallographically independent mol-ecules, A and B, which are linked into two chains of A and B mol-ecules by inter-molecular N-H⋯O hydrogen bonds. The three-dimensional network is stabilized by π-π inter-actions between the pyridine rings and phenyl rings of different residues, with centroid-centroid distances of 3.793 (1) and 3.666 (2) Å. The mol-ecular conformation is stabilized by intra-molecular N-H⋯F hydrogen bonds (2.15/2.15Å). The imidazole rings make dihedral angles of 39.5 (2)/38.5 (2) and 31.8 (2)/33.2 (2)° with the 4-fluoro-phenyl rings and the pyridine rings, respectively. The methyl group of molecule A is disorderd in a 0.60:0.40 ratio.

SUBMITTER: Selig R

PROVIDER: S-EPMC2971986 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-{4-[4-(4-Fluoro-phen-yl)-1-(2-methoxy-ethyl)-2-methyl-sulfanyl-1H-imidazol-5-yl]-2-pyrid-yl}-2-methyl-3-phenyl-propionamide.

Project description:In the crystal structure of the title compound, C(28)H(29)FN(4)O(2)S, the imidazole ring makes dihedral angles of 11.85?(7), 73.33?(7) and 22.83?(8)° with the 4-fluoro-phenyl, pyridine and phenyl rings, respectively. The 4-fluoro-phenyl ring makes dihedral angles of 77.91?(7) and 26.93?(8)° with the pyridine and phenyl rings, respectively. The phenyl and pyridine rings are nearly perpendicular, making a dihedral angle of 86.47?(9)°. The crystal packing shows an inter-molecular N-H?O hydrogen-bonding inter-action between the N-H and carbonyl groups of the amide functions.

| S-EPMC2972069 | biostudies-literature

7-[4-(4-Fluoro-phen-yl)-2-methyl-sulfanyl-1H-imidazol-5-yl]tetra-zolo[1,5-a]pyridine.

Project description:The crystal structure of the title compound, C(15)H(11)FN(6)S, forms a three-dimensional network stabilized by π-π inter-actions between the imidazole core and the tetra-zole ring of the tetra-zolopyridine-unit; the centroid-centroid distance is 3.627 (1) Å. The crystal structure also displays bifurcated N-H⋯(N,N) hydrogen bonding and C-H⋯F inter-actions. The former involve the NH H atom of the imidazole core and the tetra-zolopyridine N atoms, while the latter involve a methyl H atom, of the methyl-sulfanyl group, and the 4-fluoro-phenyl F atom. In the mol-ecule, the imidazole ring makes dihedral angles of 40.45 (9) and 17.09 (8)°, respectively, with the 4-fluoro-phenyl ring and the tetra-zolopyridine ring mean plane.

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1-(4-Fluoro-phen-yl)-3-methyl-4-phenyl-sulfanyl-1H-pyrazol-5(4H)-one.

Project description:The title compound, C(16)H(13)FN(2)OS, has undergone enol-to-keto tautomerism during the crystallization process. The 1H-pyrazole-5-one ring [maximum deviation = 0.0198?(11)?Å] is inclined at angles of 33.10?(5) and 79.57?(5)° with respect to the fluoro-phenyl [maximum deviation = 0.0090?(12)?Å] and phenyl-thiol [maximum deviation = 0.0229?(3)?Å] rings attached to it. In the crystal, neighbouring mol-ecules are linked into inversion dimers, generating R(2) (2)(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane via inter-molecular N-H?O, C-H?F and C-H?O hydrogen bonds. The crystal is further stabilized by weak ?-? [centroid-centroid distance = 3.6921?(7)?Å] and C-H?? inter-actions.

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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.

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Project description: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.

| S-EPMC3213485 | biostudies-literature

1-(2,4-Dinitro-phen-yl)-3-phenyl-4-phenyl-sulfanyl-1H-pyrazole.

Project description:In the title mol-ecule, C(21)H(14)N(4)O(4)S, the pyrazole ring forms dihedral angles of 45.6?(1), 87.7?(1) and 27.4?(1)° with the phenyl, sulfur-substituted benzene and nitro-substituted benzene rings, respectively. In the crystal, mol-ecules are connected by weak C-H?O and C-H?N hydrogen bonds into layers parallel to (010).

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2-(4-Fluoro-phen-yl)-1-phenyl-1H-benzimidazole.

Project description:In the title mol-ecule, C(19)H(13)FN(2), the benzimidazole unit is close to planar [maximum deviation = 0.0342?(9)?Å] and forms dihedral angles of 58.94?(3) and 51.43?(3)° with the phenyl and fluoro-benzene rings, respectively; the dihedral angle between the phenyl and fluoro-benzene rings is 60.17?(6)°. In the crystal, three C-H?F hydrogen bonds and two weak C-H?? inter-actions involving the fused benzene ring lead to a three-dimensional architecture.

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2-(4-Fluoro-phen-yl)-3-methyl-sulfanyl-5-phenyl-1-benzofuran.

Project description:In the title compound, C(21)H(15)FOS, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 24.3?(1)°. The dihedral angle between the phenyl ring and the benzofuran plane is 28.3?(1)°. The crystal structure may be stabilized by two very weak aromatic ?-? inter-actions between the furan and the benzene rings of neighbouring benzofuran systems; the centroid-centroid distances are 3.909?(4) and 4.028?(4)?Å.

| S-EPMC2971277 | biostudies-literature

2-(3-Fluoro-phen-yl)-3-methyl-sulfanyl-5-phenyl-1-benzofuran.

Project description:In the title compound, C(21)H(15)FOS, the dihedral angles between the mean plane of the benzofuran fragment and the pendant 3-fluoro-phenyl and phenyl rings are 1.76?(5) and 32.29?(5)°, respectively. In the crystal, mol-ecules are linked by a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.665?(2)?Å, inter-planar distance = 3.391?(2)?Å and slippage = 1.390?(2)?Å].

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3-Ethyl-sulfanyl-2-(4-fluoro-phen-yl)-5-phenyl-1-benzofuran.

Project description:In the title compound, C(22)H(17)FOS, the crystal studied was an inversion twin with a 0.42?(18):0.58?(18) domain ratio. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 17.82?(6)°, and the dihedral angle between the 5-phenyl ring and the benzofuran plane is 29.45?(7)°.

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