Abstract
In the title compound, C26H37N5S, the piperazine ring adopts a chair conformation with the exocyclic N—C bonds in pseudo-equatorial orientations. The piperazine ring (all atoms) subtends dihedral angles of 79.47 (9) and 73.07 (9)° with the triazole and benzene rings, respectively, resulting in an approximate U-shape for the molecule. No significant intermolecular interactions are observed in the crystal.
Highlights
In the title compound, C26H37N5S, the piperazine ring adopts a chair conformation with the exocyclic N—C bonds in pseudoequatorial orientations
No significant intermolecular interactions are observed in the crystal
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB7161)
Summary
Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.003 A; R factor = 0.040; wR factor = 0.117; data-to-parameter ratio = 14.8. The piperazine ring (all atoms) subtends dihedral angles of 79.47 (9) and 73.07 (9) with the triazole and benzene rings, respectively, resulting in an approximate U-shape for the molecule. No significant intermolecular interactions are observed in the crystal. Related literature For the pharmacological properties of adamantane derivatives and adamantyl-1,2,4-triazoles, see: Vernier et al (1969); ElEmam et al (2004, 2013); Al-Deeb et al (2006); Kadi et al (2007, 2010). For related adamantyl-1,2,4-triazole structures, see: Al-Tamimi et al (2010); Al-Abdullah et al (2012); ElEmam et al (2012). For ring conformations and ring puckering analysis, see: Cremer & Pople (1975)
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