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Ethyl 4-({1-[2-(4-bromo-phen-yl)-2-oxo-eth-yl]-1H-1,2,3-triazol-4-yl}meth-oxy)-8-(trifluoro-meth-yl)quinoline-3-carboxyl-ate.

ABSTRACT: The title compound, C24H18BrF3N4O4, is a 1,2,3-triazole derivative featuring, among others, a quinoline-derived substituent. In the crystal, C-H⋯O, C-H⋯N and C-H⋯F contacts connect the mol-ecules into a three-dimensional network. The shortest centroid-centroid distance between two aromatic systems is 3.896 (2) Å and is found between the two different six-membered rings of the quinoline scaffold in neighbouring mol-ecules.

SUBMITTER: Islor AM

PROVIDER: S-EPMC3588982 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:In the title compound, C(15)H(17)BrN(2)O(3), the dihedral angle between the benzene and pyrazole rings is 5.63 (2)°. The crystal packing is stabilized by weak π-π stacking inter-actions [centroid-centroid distance = 3.927 (5) Å] and inter-molecular C-H⋯O and C-H⋯Br hydrogen bonds.

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Project description:In the title compound, C(23)H(24)F(3)N(3)O(3), the morpholine ring adopts a chair conformation. The benzimidazole ring is approximately planar, with a maximum deviation of 0.028?(1)?Å for one of the unsubstituted C atoms. The benzimidazole ring makes dihedral angles of 35.66?(4) and 75.45?(5)° with the attached phenyl and morpholine rings, respectively. In the crystal structure, adjacent mol-ecules are linked via C-H?F and C-H?O hydrogen bonds to form a two-dimensional network.

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Project description:There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(22)H(17)BrN(6). The dihedral angles between the imidazo[4,5-b]pyridine mean plane and the phenyl rings are 20.4 (2) and 24.0 (2)° in the two mol-ecules. The orientation of triazoles compared to the imidazo[4,5-b]pyridine system is almost the same in both mol-ecules, with dihedral angles of 64.2 (2) and 65.1 (2)°. However, the main difference between the two mol-ecules lies in the arrangement of the phenyl groups compared to imidazo[4,5-b]pyridine in each mol-ecule. Indeed, in the first mol-ecule the dihedral angle between the plane of the phenyl ring and that of the imidazo[4,5-b]pyridine system is 67.7 (2)°, while in the second mol-ecule the plane of the phenyl ring is almost perpendicular to that of the imidazo[4,5-b]pyridine system with a dihedral angle of 86.0 (2)°.

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