3-Aminobenzoic acid–1,2-bis(4-pyridyl)ethane (1/1)

The asymmetric unit of the title compound, C12H12N2·C7H7NO2, contains two 3-aminobenzoic acid molecules and two 1,2-bis(4-pyridyl)ethane molecules. In the two 1,2-bis(4-pyridyl)ethane molecules, the dihedral angles between the pyridyl rings are 2.99 (9) and 46.78&#...

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Bibliographic Details
Main Authors: Fwu Ming Shen, Shie Fu Lush
Format: Article
Language:English
Published: International Union of Crystallography 2010-05-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810014261
Description
Summary:The asymmetric unit of the title compound, C12H12N2·C7H7NO2, contains two 3-aminobenzoic acid molecules and two 1,2-bis(4-pyridyl)ethane molecules. In the two 1,2-bis(4-pyridyl)ethane molecules, the dihedral angles between the pyridyl rings are 2.99 (9) and 46.78 (8)°. In the crystal, the molecules associate through amine and carboxyl group N—H...O=C interactions between one of the 3-aminobenzoic acid molecules and one of the 1,2-bis(4-pyridyl)ethane molecules, generating R22(14) dimers, which are extended head-to-tail via amine and pyridine N—H...N hydrogen bonds. Intermolecular O—H...N, N—H...O, N—H...N and C—H...O hydrogen bonding are observed in the crystal structure. C—H...π and π–π stacking interactions [centroid–centroid distance = 3.9985 (10) Å] are also present.
ISSN:1600-5368