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1.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 5): o1495, 2012 May 01.
Article in English | MEDLINE | ID: mdl-22590366

ABSTRACT

The title compound, C(17)H(21)BrN(4)OS, was synthesized as a potential reverse transcriptase (RT) inhibitor of the human immunodeficiency virus type 1 (HIV-1). In the molecule, there is an N-H⋯S hydrogen bond making a five-membered ring. In the crystal, mol-ecules are connected into centrosymmetric dimers via pairs of N-H⋯N and weak C-H⋯N hydrogen bonds. The crystal structure also features C-H⋯O inter-actions.

2.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): o534, 2011 Jan 29.
Article in English | MEDLINE | ID: mdl-21523182

ABSTRACT

In the title compound, C(21)H(26)N(2)O(2)S, the cyclo-hexane ring adopts a chair conformation. The angle at the methyl-ene bridge linking the pyrimidine and cyclo-hexane rings is 113.41 (13)°. This is in the range considered optimal for maximum activity of non-nucleoside reverse transcriptase inhibitors. In the crystal, mol-ecules are connected into centrosymmetric dimers via pairs of N-H⋯O hydrogen bonds.

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