5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

Abstract

Key indicatorsSingle-crystal X-ray study T = 273 K Mean (C-C) = 0.002 Å R factor = 0.046 wR factor = 0.128 Data-to-parameter ratio = 16.3For details of how these key indicators were automatically derived from the article, see

Artocarpin dichloromethane hemisolvate

“…1) contains two crystallographically independent molecules (A and B), together with a solvent molecule. The bond lengths and angles in (I) show normal values (Allen et al, 1987) and are comparable to those reported in closely related structures (Fun et al, 2005;Teh et al, 2005). The benzopyran-4-one unit (C1-C9/O1/O4) is essentially planar, with a maximum deviation of 0.045 (2) Å for atom C3A in molecule A [0.065 (2) for atom C8B in molecule B].…”

Intra- and intermolecular hydrogen bonding in 3-hydroxy- and 5-hydroxychromone

“…18,29 Attempts to explain the hydrogen bonding and metal binding observations using a simplistic approach are difficult. The hydrogen bonding behavior suggests that with full conjugation of the B phenyl ring, the 4-carbonyl group is a better hydrogen bond acceptor, the 3-hydroxy group is a better hydrogen bond donor or both are true.…”