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. 2014 Mar 15;70(Pt 4):o433-4.
doi: 10.1107/S1600536814005418. eCollection 2014 Apr 1.

4-Phenyl-1,2,4-tri-aza-spiro-[4.4]non-1-ene-3-thione

Joel T Mague  1 , Shaaban K Mohamed  2 , Mehmet Akkurt  3 , Alaa A Hassan  4 , Mustafa R Albayati  5
Affiliations

4-Phenyl-1,2,4-tri-aza-spiro-[4.4]non-1-ene-3-thione

Joel T Mague et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C12H13N3S, the 4,5-di-hydro-3H-1,2,4-triazole system is nearly planar [maximum deviation = 0.014 (2) Å], while the cyclo-pentane ring adopts a half-chair conformation. The dihedral angle between the mean plane of the 4,5-di-hydro-3H-1,2,4-triazole-3-thione ring and the phenyl ring is 85.49 (14)°, with the S atom 0.046 (1) Å out of the former plane. The crystal structure is stabilized only by van der Waals inter-actions. The investigated crystal was found to be a non-merohedral two-component twin by a 180° rotation about c*, with a refined value of the minor twin fraction of 0.12203 (18).

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Figures

Fig. 1.
Fig. 1.
Perspective view of the title molecule with 30% displacement ellipsoids.
See this image and copyright information in PMC

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    Mohamed SK, Mague JT, Akkurt M, Hassan AA, Albayati MR. Mohamed SK, et al. Acta Crystallogr Sect E Struct Rep Online. 2014 May 10;70(Pt 6):o640. doi: 10.1107/S1600536814009817. eCollection 2014 Jun 1. Acta Crystallogr Sect E Struct Rep Online. 2014. PMID: 24940227 Free PMC article.

References

    1. Akkurt, M., Mague, J. T., Mohamed, S. K., Hassan, A. A. & Albayati, M. R. (2013). Acta Cryst. E69, o1259. - PMC - PubMed
    1. Billah, S. M. R., Christie, R. M. & Morgan, K. M. (2008). Coloration Technol. 124, 229–233.
    1. Brandenburg, K. & Putz, H. (2012). DIAMOND Crystal Impact GbR, Bonn, Germany.
    1. Bruker (2013). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Chande, M. S., Verma, R. S., Barve, P. A., Khanwelkar, R. R., Vaidya, R. B. & Ajaikumar, K. B. (2005). Eur. J. Med. Chem. 40, 1143–1148. - PubMed