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. 2014 Jul 5;70(Pt 8):o848-9.
doi: 10.1107/S1600536814014883. eCollection 2014 Aug 1.

(E)-4-[7-(2,3-Di-hydro-thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo-thia-diazol-4-yl]-2-[(neo-pentyl-imino)-meth-yl]phenol

Lauren A Mitchell  1 , Jordan A Dinser  1 , Bradley J Holliday  1
Affiliations

(E)-4-[7-(2,3-Di-hydro-thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo-thia-diazol-4-yl]-2-[(neo-pentyl-imino)-meth-yl]phenol

Lauren A Mitchell et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title mol-ecule, C24H23N3O3S2, the benzo-thia-diazole ring system is essentially planar, with an r.m.s. deviation of 0.020 (8) Å. The thio-phene and hy-droxy-substitiuted rings form dihedral angles of 23.43 (9) and 35.45 (9)°, respectively, with the benzo-thia-diazole ring system. An intra-molecular O-H⋯N hydrogen bond is observed. In the crystal, weak C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distance = 3.880 (3) Å] link mol-ecules into chains along [100]. In addition, there are short S⋯S contacts [3.532 (3) Å] which link these chains, forming a two-dimensional network parallel to (010).

Keywords: crystal structure.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound. Ellipsoids are drawn at the 50% probability level.
Fig. 2.
Fig. 2.
Crystal structure viewed along the b axis. Interactions are shown between O3 and H4a of neighboring molecules.
Fig. 3.
Fig. 3.
Crystal structure viewed along the a axis. Interactions are shown between S1 and S1 of neighboring molecules.
See this image and copyright information in PMC

References

    1. Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115–119.
    1. Cason, C. J. (2004). POV-RAY for Windows. Persistence of Vision, Raytracer Pty Ltd, Victoria, Australia. http://www.povray.org.
    1. Chen, H.-F., Fang, Q., Yu, W.-T., Batsanov, A. S. & Howard, J. A. K. (2009). Acta Cryst. C65, o198–o201. - PubMed
    1. Dinser, J. A. (2013). MA thesis, The University of Texas at Austin, USA.
    1. Ellinger, S., Graham, K. R., Shi, P., Farley, R. T., Steckler, T. T., Brookins, R. N., Taranekar, P., Mei, J., Padiha, L. A., Ensley, T. R., Hu, H., Webster, S., Hagan, D. J., Van Stryland, E. W., Schanze, K. S. & Reynolds, J. R. (2011). Chem. Mater. 23, 3805–3817.