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N,N′-Bis(pyridin-2-yl)benzene-1,4-diamine–quinoxaline (2/1)
The asymmetric unit of the title compound, 2C(16)H(14)N(4)·C(8)H(6)N(2), consits of one molecule of N,N′-bis(pyridin-2-yl)benzene-1,4-diamine (PDAB) and one half-molecule of quinoxaline (QX) that is located around an inversion centre and disordered over two overlapping positions. The PDAB molecu...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238910/ https://www.ncbi.nlm.nih.gov/pubmed/22199763 http://dx.doi.org/10.1107/S1600536811046356 |
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author | Wicher, Barbara Gdaniec, Maria |
author_facet | Wicher, Barbara Gdaniec, Maria |
author_sort | Wicher, Barbara |
collection | PubMed |
description | The asymmetric unit of the title compound, 2C(16)H(14)N(4)·C(8)H(6)N(2), consits of one molecule of N,N′-bis(pyridin-2-yl)benzene-1,4-diamine (PDAB) and one half-molecule of quinoxaline (QX) that is located around an inversion centre and disordered over two overlapping positions. The PDAB molecule adopts a non-planar conformation with an E configuration at the two partially double exo C N bonds of the 2-pyridylamine units. In the crystal, these self-complementary units are N—H⋯N hydrogen bonded via a cyclic R (2) (2)(8) motif, creating tapes of PDAB molecules extending along [010]. Inversion-related tapes are arranged into pairs through π–π stacking interactions between the benzene rings [centroid–centroid distance = 3.818 (1) Å] and the two symmetry-independent pyridine groups [centroid–centroid distance = 3.760 (1) Å]. The QX molecules are enclosed in a cavity formed between six PDAB tapes. |
format | Online Article Text |
id | pubmed-3238910 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32389102011-12-23 N,N′-Bis(pyridin-2-yl)benzene-1,4-diamine–quinoxaline (2/1) Wicher, Barbara Gdaniec, Maria Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, 2C(16)H(14)N(4)·C(8)H(6)N(2), consits of one molecule of N,N′-bis(pyridin-2-yl)benzene-1,4-diamine (PDAB) and one half-molecule of quinoxaline (QX) that is located around an inversion centre and disordered over two overlapping positions. The PDAB molecule adopts a non-planar conformation with an E configuration at the two partially double exo C N bonds of the 2-pyridylamine units. In the crystal, these self-complementary units are N—H⋯N hydrogen bonded via a cyclic R (2) (2)(8) motif, creating tapes of PDAB molecules extending along [010]. Inversion-related tapes are arranged into pairs through π–π stacking interactions between the benzene rings [centroid–centroid distance = 3.818 (1) Å] and the two symmetry-independent pyridine groups [centroid–centroid distance = 3.760 (1) Å]. The QX molecules are enclosed in a cavity formed between six PDAB tapes. International Union of Crystallography 2011-11-09 /pmc/articles/PMC3238910/ /pubmed/22199763 http://dx.doi.org/10.1107/S1600536811046356 Text en © Wicher and Gdaniec 2011 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 Wicher, Barbara Gdaniec, Maria N,N′-Bis(pyridin-2-yl)benzene-1,4-diamine–quinoxaline (2/1) |
title |
N,N′-Bis(pyridin-2-yl)benzene-1,4-diamine–quinoxaline (2/1) |
title_full |
N,N′-Bis(pyridin-2-yl)benzene-1,4-diamine–quinoxaline (2/1) |
title_fullStr |
N,N′-Bis(pyridin-2-yl)benzene-1,4-diamine–quinoxaline (2/1) |
title_full_unstemmed |
N,N′-Bis(pyridin-2-yl)benzene-1,4-diamine–quinoxaline (2/1) |
title_short |
N,N′-Bis(pyridin-2-yl)benzene-1,4-diamine–quinoxaline (2/1) |
title_sort | n,n′-bis(pyridin-2-yl)benzene-1,4-diamine–quinoxaline (2/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238910/ https://www.ncbi.nlm.nih.gov/pubmed/22199763 http://dx.doi.org/10.1107/S1600536811046356 |
work_keys_str_mv | AT wicherbarbara nnbispyridin2ylbenzene14diaminequinoxaline21 AT gdaniecmaria nnbispyridin2ylbenzene14diaminequinoxaline21 |