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5-(4-Fluoro-phen-yl)-2-[2-(5-phenyl-1,3-oxazol-2-yl)phen-yl]-1,3-oxazole.

ABSTRACT: In the title compound, C(24)H(15)FN(2)O(2), the dihedral angles between the central benzene ring and the oxazole rings are 10.7 (6) and 64.1 (5)°. The dihedral angles between the oxazole rings and their pendant rings are 2.0 (3) and 24.3 (2)°. The F atoms are disordered over two sites with occupancies of 0.627 (3) and 0.373 (3) in the phenyl-ene-oxazol-yl-phenyl and in oxazol-yl-phenyl fragments, respectively. In the crystal structure, mol-ecules are linked through a network of C-H⋯F and weak π-π stacking inter-actions.

SUBMITTER: Ilyashenko R

PROVIDER: S-EPMC3007962 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5-(4-Fluoro-phen-yl)-4-(4-pyrid-yl)-1,3-oxazol-2-amine.

Project description:In the crystal structure of the title compound, C(14)H(10)FN(3)O, the plane of the isoxazole ring makes dihedral angles of 35.72?(9) and 30.00?(9)°, respectively, with those of the 4-fluoro-phenyl and pyridine rings. The plane of the 4-fluoro-phenyl ring makes a dihedral angle of 45.85?(8)° with that of the pyridine ring. The crystal structure is stabilized by inter-molecular N-H?N hydrogen bonding. The two types of hydrogen bonds result in two chains, extending along the a axis, which are related by centres of symmetry.

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Project description:In the title compound, C(16)H(13)NO, the isoxazole ring makes dihedral angles of 16.64?(7)° with 3-methyl-phenzyl ring and 17.60?(7)° with the unsubstituted phenyl ring.

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3-(4-Chloro-phen-yl)-5-phenyl-4,5-di-hydro-1,3-oxazole.

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| S-EPMC3515301 | biostudies-other

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Project description:In the title compound, C16H13NO2, the isoxazole ring makes dihedral angles of 17.1?(1)° with the 3-meth-oxy-phenyl ring and 15.2?(1)° with the phenyl group. Centrosymmetric dimers that are realised by pairs of C-H?? inter-actions are observed in the crystal structure.

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Project description:In the title mol-ecule, C(17)H(20)ClNOS(2), the phenyl and oxazole rings are nearly coplanar with an average deviation of 0.022?Å from the mean plane (M). The 1,3-dithiane ring adopts a chair conformation and is twisted in such a way that the C-C(Bu) fragment lies in M (deviations are 0.031 and 0.010?Å, respectively, for the two C atoms).

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2-[5-(4-Fluoro-phen-yl)-3-(4-methyl-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thia-zole.

Project description:In the title compound, C25H20FN3S, two independent mol-ecules comprise the asymmetric unit, which differ in the relative orientation of the fluoro-benzene ring with respect to the pyrazole ring to which it is attached [dihedral angles = 89.39?(17) and 75.23?(16)° in the two mol-ecules]. Each pyrazole ring adopts an envelope conformation with the methine C atom being the flap atom. There are additional twists in the mol-ecules, e.g. between the five-membered rings [dihedral angles = 18.23?(16) and 17.84?(16)°] and between the thia-zole and attached phenyl ring [10.26?(16) and 20.87?(15)°]. Overall, each mol-ecule has a T-shape. In the crystal, mol-ecules are connected into a three-dimensional architecture by weak C-H?? inter-actions.

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2-(2-Methoxy-phen-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole.

Project description:In the title mol-ecule, C(12)H(15)NO(2), the oxazole ring adopts an envelope conformation. Overall, the mol-ecule is approximately planar, the dihedral angle between the mean plane through all but the methyl-ene C atom of the five-membered ring and the aromatic ring being 8.6?(1)°. A weak C-H?O inter-action contributes to the stabilization of the crystal structure.

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2-(3-Methyl-2-nitro-phen-yl)-4,5-dihydro-1,3-oxazole.

Project description:In the title compound, C(10)H(10)N(2)O(3), an inter-mediate in the synthesis of anthranilamide insecticides, all the non-H atoms except the nitro-group O atom lie on a crystallographic mirror plane. The H atoms of the methyl group are disordered over two sets of sites with equal occupancies. In the crystal structure, C-H⋯N links lead to chains of mol-ecules propagating in [100].

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1,3-Phenyl-ene bis-{3-[2-chloro-4-(tri-fluoro-meth-yl)phen-oxy]benzoate}.

Project description:In the title compound, C(34)H(18)Cl(2)F(6)O(6), one terminal trifluoro-methyl and one entire 2-chloro-4-(trifluoro-meth-yl)phenyl group are disordered with refined occupancy ratios of 0.715?(11):0.285?(11) and 0.517?(5):0.429?(5), respectively. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into ribbons propagating along the a-axis direction.

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2-[3-(4-Chloro-phen-yl)-5-(4-fluoro-phenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thia-zole.

Project description:In the title compound, C24H17ClFN3S, the pyrazole ring is almost planar (r.m.s. deviation = 0.030?Å). With the exception of the methine-bound benzene ring, which forms a dihedral angle of 85.77?(13)° with the pyrazole ring, the remaining non-C atoms lie in an approximate plane (r.m.s. deviation = 0.084?Å) so that overall the mol-ecule has a T-shape. In the crystal, centrosymmetrically related mol-ecules are connected via ?-? inter-actions between pyrazole rings [centroid-centroid distance = 3.5370?(15)?Å] and these stack along the a axis with no specific inter-actions between them.

| S-EPMC3629623 | biostudies-literature

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