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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...

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Autores principales: Shen, Fwu Ming, Lush, Shie Fu
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
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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.
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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
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