3-(1-1-(4-Bromo{\-}phen{\-}yl)-1{\it H}-1,2,3-triazol-4-ylmeth{\-}ylpiperidin-4-yl)-6-fluoro-1,2-benzoxazole hemihydrate

Ashwini, N. and Naveen, S. and Rakesh, K. S. and Lokanath, N. K. and Rangappa, K. S. (2016) 3-(1-1-(4-Bromo{\-}phen{\-}yl)-1{\it H}-1,2,3-triazol-4-ylmeth{\-}ylpiperidin-4-yl)-6-fluoro-1,2-benzoxazole hemihydrate. IUCrData, 1 (1). x152458. ISSN 2414-3146

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Official URL: https://doi.org/10.1107/S241431461502458X


The title compound, C\sb 21H\sb 19BrFN\sb 5O⋅0.5H\sb 2O, crystallizes as a hemihydrate with the water mol\-ecule located on a twofold rotation axis. The piperidine ring has a chair conformation, whereas the triazole and the benzisoxazole rings are planar (r.m.s. deviations = 0.006 and 0.009Å, respectively). The N—-C and C—-C bonds connecting the triazole and benzisoxazole rings, respectively, to the piperidine ring lie in equatorial positions. In the crystal, mol\-ecules related by a twofold rotation axis are linked \it via O—-H⋅sN hydrogen bonds involving the water mol\-ecule and a pair of C—-H⋅sN hydrogen bonds forming dimers. The dimers are linked \it via a pair of C—-H⋅sF hydrogen bonds leading to the formation of chains propagating along 101.

Item Type: Article
Uncontrolled Keywords: crystal structure, triazole, piperidine, isoxazole, hydrogen bonding.
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: manjula User
Date Deposited: 14 Jun 2019 10:26
Last Modified: 14 Jun 2019 10:26
URI: http://eprints.uni-mysore.ac.in/id/eprint/3101

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