Crystal structure of natural phaeosphaeride A.

Acta Crystallogr E Crystallogr Commun

All-Russian Institute of Plant Protection, Russian Academy of Agricultural Sciences, Pushkin, Saint Petersburg, 196608, Russian Federation.

Published: August 2015

The asymmetric unit of the title compound, C15H23NO5, contains two independent mol-ecules. Phaeosphaeride A contains two primary sections, an alkyl chain consisting of five C atoms and a cyclic system consisting of fused five- and six-membered rings with attached substituents. In the crystal, the mol-ecules form layered structures. Nearly planar sheets, parallel to the (001) plane, form bilayers of two-dimensional hydrogen-bonded networks with the hy-droxy groups located on the inter-ior of the bilayer sheets. The network is constructed primarily of four O-H⋯O hydrogen bonds, which form a zigzag pattern in the (001) plane. The butyl chains inter-digitate with the butyl chains on adjacent sheets. The crystal was twinned by a twofold rotation about the c axis, with refined major-minor occupancy fractions of 0.718 (6):0.282 (6).

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571431PMC
http://dx.doi.org/10.1107/S205698901501395XDOI Listing

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