AI Article Synopsis
- The title compound consists of three independent molecules in its asymmetric unit, featuring a triazole ring and a carboxamide group that are nearly coplanar due to intra-molecular hydrogen bonding.
- The orientation of the isopropyl group varies among the three molecules, showing notable differences.
- The crystal structure is stabilized by N-H⋯O and N-H⋯N hydrogen bonds, forming continuous chains along the [010] direction.
Article Abstract
Three independent mol-ecules comprise the asymmetric unit of the title compound, C10H19N5O2, (systematic name: 4-amino-N-tert-butyl-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide) . In all three mol-ecules, the triazole ring and the carboxamide group are almost coplanar [within 4.0-5.9 (9)°], particularly because of the formation of an intra-molecular N-H⋯O hydrogen bond. On other hand, the orientation of the isopropyl group varies significantly from mol-ecule to mol-ecule. The crystal packing is dominated by N-H⋯O and N-H⋯N hydrogen bonds, which connect the mol-ecules into infinite chains along [010].
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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629643 | PMC |
| http://dx.doi.org/10.1107/S1600536813007782 | DOI Listing |
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