Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2011 Dec 1;67(Pt 12):o3368.
doi: 10.1107/S1600536811048434. Epub 2011 Nov 19.

5,8-Dibromo-15-nitro-2,11-dithia-[3.3]paracyclo-phane

Fang Hu  1 , Zhi-Ming Chen
Affiliations

5,8-Dibromo-15-nitro-2,11-dithia-[3.3]paracyclo-phane

Fang Hu et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

IN THE TITLE COMPOUND [SYSTEMATIC NAME: 13,15-dibromo-6-nitro-3,10-dithia-tricyclo-[10.2.2.2(5,8)]octa-deca-1(14),5,7,12,15,17-hexa-ene], C(16)H(13)Br(2)NO(2)S(2), the dihedral angle between the two benzene rings is 0.93 (2)°. The crystal structure is stabilized by weak π-π inter-molecular inter-actions [centroid-centroid distance = 3.286 (5) Å]. One S atom and the H atoms on neighboring C atoms are disordered over two sets of sites (occupancy ratios: S = 0.91:0.09 and H = 0.93:0.07).

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
Molecular structure of (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level. Dashed lines indicate disorder in the S2 ((0.91:0.09), H15A, H15B (0.93) H15C, H15D (0.07), H16A, H16B (0.93), H16C, H16D (0.07) atoms disordered over two sites.
See this image and copyright information in PMC

References

    1. Bruker (2001). SAINT-Plus and SMART Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. - PubMed
    1. Spek, A. L. (2009). Acta Cryst. D65, 148–155. - PMC - PubMed
    1. Wang, W., Xu, J., Zhang, X. & Lai, Y. H. (2006). Macromol. Chem. 39, 7277–7285.
    1. Xu, J. W., Wang, W. L., Lin, T. T., Sun, Z. & Lai, Y. H. (2008). Supramol. Chem. 20, 723–730.