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Nicotinaldehyde [2,8-bis-(trifluoro-meth-yl)quinolin-4-yl]hydrazone monohydrate.

ABSTRACT: In the title compound, C(17)H(10)F(6)N(4)·H(2)O, the pyridine ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes is 21.3?(1)°. One of the trifluoro-methyl group is disordered over two orientations with occupancies of 0.70?(1) and 0.30?(1). The water mol-ecule is disordered over two positions with occupancies of 0.76?(1) and 0.24?(1). In the crystal, the water mol-ecule is linked to the main mol-ecule via N-H?O and C-H?O hydrogen bonds, and inversion-related pairs are linked via O-H?N hydrogen bonds. In addition, a weak ?-? inter-action is observed between the pyridine ring and the pyridine ring of the quinoline unit, with a centroid-centroid distance of 3.650?(2)?Å.

SUBMITTER: Devarajegowda HC 

PROVIDER: S-EPMC3007871 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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Nicotinaldehyde [2,8-bis-(trifluoro-meth-yl)quinolin-4-yl]hydrazone monohydrate.

Devarajegowda H C HC   Vepuri Suresh Babu SB   Vinduvahini M M   Kavitha H D HD   Arunkashi H K HK  

Acta crystallographica. Section E, Structure reports online 20100811 Pt 9

In the title compound, C(17)H(10)F(6)N(4)·H(2)O, the pyridine ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes is 21.3 (1)°. One of the trifluoro-methyl group is disordered over two orientations with occupancies of 0.70 (1) and 0.30 (1). The water mol-ecule is disordered over two positions with occupancies of 0.76 (1) and 0.24 (1). In the crystal, the water mol-ecule is linked to the main mol-ecule via N-H⋯O and C-H⋯O hydrogen bonds, and inversion-re  ...[more]

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