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

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 ?-? 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.

SUBMITTER: Robin B

PROVIDER: S-EPMC2915359 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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

Robin Beck B Buell Gregg G Kiprof Paul P Nemykin Victor N VN

Acta crystallographica. Section E, Structure reports online 20071221 Pt 1

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. ...[more]

PMID: 21200876

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