3-Amino-benzoic acid-1,2-bis-(4-pyrid-yl)ethane (1/1).

ABSTRACT: The asymmetric unit of the title compound, C(12)H(12)N(2)·C(7)H(7)NO(2), contains two 3-amino-benzoic acid mol-ecules and two 1,2-bis-(4-pyrid-yl)ethane mol-ecules. In the two 1,2-bis-(4-pyrid-yl)ethane mol-ecules, the dihedral angles between the pyridyl rings are 2.99 (9) and 46.78 (8)°. In the crystal, the mol-ecules associate through amine and carboxyl group N-H⋯O=C inter-actions between one of the 3-amino-benzoic acid mol-ecules and one of the 1,2-bis-(4-pyrid-yl)ethane mol-ecules, generating R(2) (2)(14) dimers, which are extended head-to-tail via amine and pyridine N-H⋯N hydrogen bonds. Inter-molecular 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 inter-actions [centroid-centroid distance = 3.9985 (10) Å] are also present.

SUBMITTER: Shen FM 

PROVIDER: S-EPMC2979085 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature