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
. 2014 Mar 29;70(Pt 4):o490.
doi: 10.1107/S1600536814006266. eCollection 2014 Apr 1.

3-(Di-phenyl-amino)-isobenzo-furan-1(3H)-one

Affiliations

3-(Di-phenyl-amino)-isobenzo-furan-1(3H)-one

Rodolfo Moreno-Fuquen et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title isobenzo-furan-one derivative, C20H15NO2, the planar fused-ring system (r.m.s. deviation for the 10 fitted atoms = 0.031 Å) forms dihedral angles of 63.58 (6) and 63.17 (8)° with the N-bound phenyl rings; the dihedral angle between the planes of these phenyl rings is 85.92 (7)°. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, involving both O atoms, forming helical supra-molecular chains along [001].

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
Molecular conformation and atom numbering scheme for (I) with displacement ellipsoids drawn at the 50% probability level. H atoms are shown as spheres of arbitrary radius.
Fig. 2.
Fig. 2.
Part of the crystal structure of (I), showing the formation of helical chains running along [001]. Symmetry code: (i) -x+1/2, +y, +z-1/2.

References

    1. Abonia, R., Castillo, J., Insuasty, B., Quiroga, J., Nogueras, M. & Cobo, J. (2010). Eur. J. Org. Chem pp. 6454–6463.
    1. Abonia, R., Castillo, J., Insuasty, B., Quiroga, J., Nogueras, M. & Cobo, J. (2013). Comb. Sci 15, 2–9. - PubMed
    1. Anderson, J. T., Ting, A. E., Boozer, S., Brunden, K. R., Crumrine, C., Danzig, J., Dent, T., Faga, L., Harrington, J. J., Hodnick, W. F., Murphy, S. M., Pawlowski, G., Perry, R., Raber, A., Rundlett, S. E., Stricker-Krongrad, A., Wang, J. & Bennani, Y. L. (2005). J. Med. Chem. 48, 7096–7098. - PubMed
    1. Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849–854.
    1. Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453–457.