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
. 2022 Feb 25;7(Pt 2):x220199.
doi: 10.1107/S2414314622001997. eCollection 2022 Feb.

Ethyl 10-cyano-7-hy-droxy-6-oxo-3-phenyl-8,9,10,10a-tetra-hydro-6 H-benzo[ c]chromene-10-carboxyl-ate

H Surya Prakash Rao  1   2 , Prabakaran M  1 , Jayaraman Muthukumaran  3
Affiliations

Ethyl 10-cyano-7-hy-droxy-6-oxo-3-phenyl-8,9,10,10a-tetra-hydro-6 H-benzo[ c]chromene-10-carboxyl-ate

H Surya Prakash Rao et al. IUCrdata. .

Abstract

In the title compound, C23H19NO5, the cyano group adopts an axial orientation and the ester group an equatorial orientation. The dihedral angle between the pendant phenyl group and the benzene ring of the fused-ring system is 25.97 (8)°. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds are observed and the packing is consolidated by C-H⋯O and C-H⋯π inter-actions.

Keywords: C—H⋯O inter­action; C—H⋯π inter­action; crystal structure; dibenzo­pyran.

PubMed Disclaimer

Figures

Figure 1
Figure 1
The mol­ecular structure of the title compound with the atom-numbering scheme and displacement ellipsoids drawn at the 50% probability level. Intra­molecular hydrogen bonds are shown as dashed lines.
Figure 2
Figure 2
Inter­molecular inter­actions in the title compound.
See this image and copyright information in PMC

References

    1. Agilent (2014). CrysAlis PRO. Agilent Technologies Ltd, Yarnton, England.
    1. Alzaydi, K. M., Abojabal, N. S. & Elnagdi, M. H. (2016). Tetrahedron Lett. 57, 3596–3599.
    1. Appel, B., Saleh, N. N. R. & Langer, P. (2006). Chem. Eur. J. 12, 1221–1236. - PubMed
    1. Bialonska, D., Kasimsetty, S. G., Khan, S. I. & Ferreira, D. (2009). J. Agric. Food Chem. 57, 10181–10186. - PubMed
    1. Casiraghi, G., Cornia, M., Casnati, G., Fava, G. G. & Belicchi, M. F. (1986). J. Chem. Soc. Chem. Commun. pp. 271–273.

LinkOut - more resources