5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4 H -1,2,4-triazole
2012; International Union of Crystallography; Volume: 68; Issue: 8 Linguagem: Inglês
10.1107/s1600536812030784
ISSN1600-5368
AutoresEbtehal S. Al‐Abdullah, Ali A. El‐Emam, Hazem A. Ghabbour, Suchada Chantrapromma, Hoong‐Kun Fun,
Tópico(s)Fluorine in Organic Chemistry
ResumoIn the asymmetric unit of the title adamantyl derivative, C(20)H(25)N(3)S, there are two crystallographic independent mol-ecules with slightly different conformations. In one mol-ecule, the whole benzyl group is disordered over two orientations with the refined site-occupancy ratio of 0.63 (2):0.37 (2). The dihedral angles between the 1,2,4-triazole and phenyl rings are 24.3 (8) (major component) and 25.8 (13)° (minor component) in the disordered mol-ecule, whereas the corresponding angle is 51.53 (16)° in the other mol-ecule. In the crystal, mol-ecules are linked into a chain along the a axis by a weak C-H⋯N inter-action. Weak C-H⋯π inter-actions are also observed.
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