Cargando…
3-Aminobenzoic acid–1,2-bis(4-pyridyl)ethane (1/1)
The asymmetric unit of the title compound, C(12)H(12)N(2)·C(7)H(7)NO(2), 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 cry...
Autores principales: | , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979085/ https://www.ncbi.nlm.nih.gov/pubmed/21579186 http://dx.doi.org/10.1107/S1600536810014261 |
_version_ | 1782191339766546432 |
---|---|
author | Shen, Fwu Ming Lush, Shie Fu |
author_facet | Shen, Fwu Ming Lush, Shie Fu |
author_sort | Shen, Fwu Ming |
collection | PubMed |
description | The asymmetric unit of the title compound, C(12)H(12)N(2)·C(7)H(7)NO(2), 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 R (2) (2)(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. |
format | Text |
id | pubmed-2979085 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29790852010-12-30 3-Aminobenzoic acid–1,2-bis(4-pyridyl)ethane (1/1) Shen, Fwu Ming Lush, Shie Fu Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(12)H(12)N(2)·C(7)H(7)NO(2), 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 R (2) (2)(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. International Union of Crystallography 2010-04-24 /pmc/articles/PMC2979085/ /pubmed/21579186 http://dx.doi.org/10.1107/S1600536810014261 Text en © Shen and Lush 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Shen, Fwu Ming Lush, Shie Fu 3-Aminobenzoic acid–1,2-bis(4-pyridyl)ethane (1/1) |
title | 3-Aminobenzoic acid–1,2-bis(4-pyridyl)ethane (1/1) |
title_full | 3-Aminobenzoic acid–1,2-bis(4-pyridyl)ethane (1/1) |
title_fullStr | 3-Aminobenzoic acid–1,2-bis(4-pyridyl)ethane (1/1) |
title_full_unstemmed | 3-Aminobenzoic acid–1,2-bis(4-pyridyl)ethane (1/1) |
title_short | 3-Aminobenzoic acid–1,2-bis(4-pyridyl)ethane (1/1) |
title_sort | 3-aminobenzoic acid–1,2-bis(4-pyridyl)ethane (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979085/ https://www.ncbi.nlm.nih.gov/pubmed/21579186 http://dx.doi.org/10.1107/S1600536810014261 |
work_keys_str_mv | AT shenfwuming 3aminobenzoicacid12bis4pyridylethane11 AT lushshiefu 3aminobenzoicacid12bis4pyridylethane11 |