Crystal structure of natural phaeosphaeride A

Victoria V Abzianidze; Ekaterina V Poluektova; Ksenia P Bolshakova; Taras L Panikorovskii; Alexander S Bogachenkov; Alexander O Berestetskiy

doi:10.1107/S205698901501395X

Crystal structure of natural phaeosphaeride A

Acta Crystallogr E Crystallogr Commun. 2015 Jul 31;71(Pt 8):o625-6. doi: 10.1107/S205698901501395X. eCollection 2015 Aug 1.

Authors

Victoria V Abzianidze¹, Ekaterina V Poluektova², Ksenia P Bolshakova², Taras L Panikorovskii³, Alexander S Bogachenkov⁴, Alexander O Berestetskiy²

Affiliations

¹ Chemical Modeling Laboratory, Research Institute of Hygiene, Occupational Pathology and Human Ecology, Medical Biological Agency, p/o Kuz'molovsky, Saint Petersburg, 188663, Russian Federation.
² All-Russian Institute of Plant Protection, Russian Academy of Agricultural Sciences, Pushkin, Saint Petersburg, 196608, Russian Federation.
³ Department of Crystallography, Institute of Earth Sciences, Saint Petersburg State University, University Emb., 7/9, Saint Petersburg, 199034, Russian Federation.
⁴ Department of Organic Chemistry, Institute of Chemistry, Saint Petersburg State University, University Emb., 26, Saint Petersburg, 198504, Russian Federation.

Abstract

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).

Keywords: crystal structure; natural phaeosphaeride A.