ONAPHTHO[3,4-B]CYCLOPENTENO-[1,2-E]-4H-PYRAN-4-ONE

Citation
Zb. Cao et al., ONAPHTHO[3,4-B]CYCLOPENTENO-[1,2-E]-4H-PYRAN-4-ONE, Acta crystallographica. Section C, Crystal structure communications, 53, 1997, pp. 144-146
Citations number
9
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
53
Year of publication
1997
Part
1
Pages
144 - 146
Database
ISI
SICI code
0108-2701(1997)53:<144:O>2.0.ZU;2-1
Abstract
In the title compound, drocyclopenta[1,2-e]naphtho[1,2-b]pyran-4(1H)-o ne, C16H14O2, the planar pyrone ring makes dihedral angles of less tha n 10 degrees with the best planes of each of the other three rings. Th e maximum deviation for each of the planes through the non-H atoms is less than 0.225(4) Angstrom. Molecules in the crystal ate packed in co lumns. Molecular-dynamics calculations of the interaction energy betwe en neighbouring molecules within the columns gave a rather large value of ca 25 kJ mol(-1). Only weak interactions were found between the co lumns.