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Crystal structure and Hirshfield analysis of the 4-(di-methyl-amino)-pyridine adduct of 4-meth-oxy-phenyl-borane.

ABSTRACT: The title compound [systematic name: 4-(di-methyl-amino)-pyridine-4-meth-oxy-phenyl-borane (1/1)], C₁₄H₁₉BN₂O, contains two independent mol-ecules in the asymmetric unit. Both molecules exhibit coplanar, mostly sp²-hybridized meth-oxy and di-methyl-amino substituents on their respective aromatic rings, consistent with ?-donation into the aromatic systems. The B-H groups exhibit an intra-molecular close contact with a C-H group of the pyridine ring, which may be evidence of electrostatic attraction between the hydridic B-H and the electropositive aromatic C-H. There appears to be weak C-H??(arene) inter-actions between two of the H atoms of an amino-methyl group and the meth-oxy-substituted benzene ring of the other independent mol-ecule, and another C-H?? (arene) inter-action between one of the pyridine ring H atoms and the same benzene ring.

SUBMITTER: Shooter J

PROVIDER: S-EPMC5683505 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfield analysis of the 4-(di-methyl-amino)-pyridine adduct of 4-meth-oxy-phenyl-borane.

Shooter Jesse J Allen Caleb J CJ Tinsley Colby W K CWK Zakharov Lev N LN Abbey Eric R ER

Acta crystallographica. Section E, Crystallographic communications 20171020 Pt 11

The title compound [systematic name: 4-(di-methyl-amino)-pyridine-4-meth-oxy-phenyl-borane (1/1)], C14H19BN2O, contains two independent mol-ecules in the asymmetric unit. Both molecules exhibit coplanar, mostly sp2-hybridized meth-oxy and di-methyl-amino substituents on their respective aromatic rings, consistent with π-donation into the aromatic systems. The B-H groups exhibit an intra-molecular close contact with a C-H group of the pyridine ri ...[more]

PMID: 29152365

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