AI Article Synopsis
- The molecule C(16)H(20)N(2)OS features a slightly distorted boat conformation in its heterocyclic ring, with a notable dihedral angle of 86.98° with the benzene ring.
- The arrangement of functional groups shows that the thione, acetyl, and methyl groups are positioned opposite to the isopropylphenyl group, which is oriented axially.
- In the crystal structure, various hydrogen bonds (N-H⋯O, N-H⋯S, C-H⋯S) contribute to the molecules' linkage.
Article Abstract
In the title mol-ecule, C(16)H(20)N(2)OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 86.98 (6)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the isopropylphenyl group which has an axial orientation. A weak intra-molecular C-H⋯O hydrogen bond is observed. In the crystal, molecules are linked via N-H⋯O, N-H⋯S and C-H⋯S hydrogen bonds.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435669 | PMC |
| http://dx.doi.org/10.1107/S1600536812034046 | DOI Listing |
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