Crystal structure of 4,6-dinitro-1-(5-tetrazolyl)-1H-indazole trihydrate |
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Authors: | D S Sake Gowda Puttaraja Reuben Rudman |
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Institution: | (1) Department of Physics Central College, Bangalore University, 560001 Bangalore, India;(2) Department of Chemistry, Adelphi University, 11530 Garden City, New York |
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Abstract: | The title compound, C8H4N8O4·3H2O, crystallizes in space groupP¯1 with cell constantsa=7.022(1),b=9.507(2),c=10.906(2) Å, =84.99(1), =71.89(1), =72.56(1)°,Z=2, andV
c
=660.2 Å3. The structure was solved by direct methods using diffractometer data and was refined by full-matrix least-squares methods to anR value of 0.060 for 2112 observed reflections. The molecule, consisting of a phenyl ring fused to a pyrazole ring with a tetrazole ring connected to it equatorially, is planar except for the N(7) nitro-group oxygen atoms. The structure is stabilized by a three-dimensional network of O-H O, O-H N, and N-H O hydrogen bonds through the water molecules. |
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