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Crystal structure of the bora-benzene-2,6-lutidine adduct.

ABSTRACT: In the title compound, C12H14BN, the complete mol-ecule is generated by a crystallographic twofold axis, with two C atoms, the B atom and the N atom lying on the rotation axis. The dihedral angle between the bora-benzene and pyridine rings is 81.20 (6)°. As well as dative electron donation from the N atom to the B atom [B-N = 1.5659 (18) Å], the methyl substituents on the lutidine ring shield the B atom, which further stabilizes the mol-ecule. In the crystal, weak aromatic π-π stacking between the pyridine rings [centroid-centroid separation = 3.6268 (9) Å] is observed, which generates [001] columns of mol-ecules.

SUBMITTER: Kivijarvi L

PROVIDER: S-EPMC4719914 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of the bora-benzene-2,6-lutidine adduct.

Kivijärvi Lauri L Haukka Matti M

Acta crystallographica. Section E, Crystallographic communications 20151114 Pt 12

In the title compound, C12H14BN, the complete mol-ecule is generated by a crystallographic twofold axis, with two C atoms, the B atom and the N atom lying on the rotation axis. The dihedral angle between the bora-benzene and pyridine rings is 81.20 (6)°. As well as dative electron donation from the N atom to the B atom [B-N = 1.5659 (18) Å], the methyl substituents on the lutidine ring shield the B atom, which further stabilizes the mol-ecule. In the crystal, weak aromatic π-π stacking between t ...[more]

PMID: 26870542

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