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(4-Cyano-phenolato)(subphthalocyaninato)boron.

ABSTRACT: The crystal structure of the title compound, C(31)H(16)BN(7)O, (CNPhO-BsubPc) is characterized by pairs of ?-? stacking inter-actions between the concave faces of inversion-related BsubPc fragments with a centroid-centroid distance of 3.600?(1)?Å. In addition, these pairs of mol-ecules are linked into chains along [101] through further weak ?-? stacking inter-actions with a centroid-centroid distance of 3.8587?(9)?Å. There are also weak C-H??(arene) inter-actions within the chains.

SUBMITTER: Paton AS

PROVIDER: S-EPMC3051429 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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(4-Cyano-phenolato)(subphthalocyaninato)boron.

Paton Andrew S AS Lough Alan J AJ Bender Timothy P TP

Acta crystallographica. Section E, Structure reports online 20110129 Pt 2

The crystal structure of the title compound, C(31)H(16)BN(7)O, (CNPhO-BsubPc) is characterized by pairs of π-π stacking inter-actions between the concave faces of inversion-related BsubPc fragments with a centroid-centroid distance of 3.600 (1) Å. In addition, these pairs of mol-ecules are linked into chains along [101] through further weak π-π stacking inter-actions with a centroid-centroid distance of 3.8587 (9) Å. There are also weak C-H⋯π(arene) inter-actions within the chains. ...[more]

PMID: 21523157

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