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2-Phenyl-naphtho-[1,8-de][1,3,2]diaza-borinane.

ABSTRACT: The title compound, C(16)H(13)BN(2), is one compound in a series of diaza-borinanes featuring substitution at the 1, 2 and 3 positions in the nitro-gen-boron heterocycle. The title compound is slightly distorted from planarity, with a dihedral angle of 9.0?(5)° between the mean planes of the naphthalene system and the benzene ring. The m-carbon atom of the benzene ring exhibits the greatest deviation of 0.164?(2)?Å from the 19-atom mean plane defined by all non-H atoms. The two N-B-C-C torsion angles are 6.0?(3) and 5.6?(3)°. In the crystal, mol-ecules are linked by ?-? inter-actions into columns, with a distance of 3.92?(3)?Å between the naphthalene ring centroids. Adjacent ?-stacked columns, co-linear with the b-axis, are linked by C-H?? inter-actions.

SUBMITTER: Slabber CA

PROVIDER: S-EPMC3213450 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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2-Phenyl-naphtho-[1,8-de][1,3,2]diaza-borinane.

Slabber Cathryn A CA Grimmer Craig C Akerman Matthew P MP Robinson Ross S RS

Acta crystallographica. Section E, Structure reports online 20110709 Pt 8

The title compound, C(16)H(13)BN(2), is one compound in a series of diaza-borinanes featuring substitution at the 1, 2 and 3 positions in the nitro-gen-boron heterocycle. The title compound is slightly distorted from planarity, with a dihedral angle of 9.0 (5)° between the mean planes of the naphthalene system and the benzene ring. The m-carbon atom of the benzene ring exhibits the greatest deviation of 0.164 (2) Å from the 19-atom mean plane defined by all non-H atoms. The two N-B-C-C torsion a ...[more]

PMID: 22091029

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