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. 2007 Dec 21;64(Pt 1):o314-5.
doi: 10.1107/S1600536807066731.

3H-2,1-Benzoxaborole-1-spiro-4'-(5-oxa-3a-aza-4-borapyrene)

Beck Robin  1 , Gregg Buell, Paul Kiprof, Victor N Nemykin
Affiliations

3H-2,1-Benzoxaborole-1-spiro-4'-(5-oxa-3a-aza-4-borapyrene)

Beck Robin et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(20)H(14)BNO(2), the B atom has a tetra-hedral geometry with two short B-O and two long B-C and B-N bonds, revealing a significant difference between C(ar)-O-B and C(alk-yl)-O-B bond distances. Inter-molecular Ar-H⋯O hydrogen bonds and strong π-π inter-actions (3.368 Å) between aromatic cores of neighbouring mol-ecules result in hexa-gonal channels along the crystallographic c axis, which are potentially accessible for small mol-ecules.

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Figures

Fig. 1.
Fig. 1.
The title compound with displacement ellipsoids drawn at the 50% probability level. H atoms are shown as spheres of arbitary radius.
Fig. 2.
Fig. 2.
Unit cell representation showing the small hexagonal channels along c axis. Hexagonal channels are labeled in red with 'Ch'.
See this image and copyright information in PMC

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