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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?? and ?-? stacking inter-actions [centroid-centroid distance = 3.9985?(10)?Å] are also present.

SUBMITTER: Shen FM

PROVIDER: S-EPMC2979085 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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

Shen Fwu Ming FM Lush Shie Fu SF

Acta crystallographica. Section E, Structure reports online 20100424 Pt 5

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, generatin ...[more]

PMID: 21579186

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