El-Khatatneh, Nasseem and Chandra and Shamala, D. and Shivashankar, K. and Mahendra, M. (2016) 6-tert-Butyl-4-[(4-hy­dr­oxy­methyl-2H-1,2,3-triazol-2-yl)meth­yl]-2H-chromen-2-one. IUCrData, 1 (10). x161618. ISSN 2414-3146

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Official URL: https://doi.org/10.1107/S2414314616016187


In the title compound, C\sb 17H\sb 19N\sb 3O\sb 3, the triazole ring and the chromene ring system maximum deviation = 0.018(2){\AA} for the O atom bridged {\it via} a methyl{\-}ene C atom, are inclined to one another by 73.2(1){$^\circ$}. In the crystal, mol{\-}ecules are linked by O{---}H{$\cdots$}N hydrogen bonds, forming zigzag chains along 001. The chains are linked by C{---}H{$\cdots$}O hydrogen bonds, forming layers parallel to (010), and these layers are linked by C{---}H{$\cdots$}{$\pi$} and {$\pi$}{--}{$\pi$} inter{\-}actions intercentroid distance = 3.557(1){\AA}, forming a three-dimensional newwork. The hy{\-}droxy{\-}methyl group at the 4-position of the triazole ring is disordered over two sets of sites, with a refined occupancy ratio of 0.418(11):0.584(11).

Item Type: Article
Uncontrolled Keywords: crystal structure, chromones, triazole, hydrogen bonding, C-H...pi interactions
Subjects: D Physical Science > Physics
Divisions: Department of > Physics
Depositing User: Manjula P Library Assistant
Date Deposited: 15 Jun 2019 06:57
Last Modified: 15 Jun 2019 06:59
URI: http://eprints.uni-mysore.ac.in/id/eprint/3121

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