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Butane-1,4-diyl bis(pyridine-3-carboxylate)
Molecules of the title compound (alternative name: butane-1,4-diyl dinicotinate), C(16)H(16)N(2)O(4), lie on a inversion centre, located at the mid-point of the central C—C bond of the aliphatic chain, giving one half-molecule per asymmetric unit. The butane chain adopts an all-trans conformation....
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393279/ https://www.ncbi.nlm.nih.gov/pubmed/22807836 http://dx.doi.org/10.1107/S160053681202260X |
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author | Vallejos, Javier Brito, Iván Cárdenas, Alejandro Bolte, Michael |
author_facet | Vallejos, Javier Brito, Iván Cárdenas, Alejandro Bolte, Michael |
author_sort | Vallejos, Javier |
collection | PubMed |
description | Molecules of the title compound (alternative name: butane-1,4-diyl dinicotinate), C(16)H(16)N(2)O(4), lie on a inversion centre, located at the mid-point of the central C—C bond of the aliphatic chain, giving one half-molecule per asymmetric unit. The butane chain adopts an all-trans conformation. The dihedral angle between the mean plane of the butane-3-carboxylate group [for the non-H atoms, maximum deviation = 0.0871 (15) Å] and the pyridine ring is 10.83 (7)°. In the crystal, molecules lie in planes parallel to (122). The structure features weak π–π interactions with a centroid–centroid distance of 3.9281 (11) Å. |
format | Online Article Text |
id | pubmed-3393279 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33932792012-07-17 Butane-1,4-diyl bis(pyridine-3-carboxylate) Vallejos, Javier Brito, Iván Cárdenas, Alejandro Bolte, Michael Acta Crystallogr Sect E Struct Rep Online Organic Papers Molecules of the title compound (alternative name: butane-1,4-diyl dinicotinate), C(16)H(16)N(2)O(4), lie on a inversion centre, located at the mid-point of the central C—C bond of the aliphatic chain, giving one half-molecule per asymmetric unit. The butane chain adopts an all-trans conformation. The dihedral angle between the mean plane of the butane-3-carboxylate group [for the non-H atoms, maximum deviation = 0.0871 (15) Å] and the pyridine ring is 10.83 (7)°. In the crystal, molecules lie in planes parallel to (122). The structure features weak π–π interactions with a centroid–centroid distance of 3.9281 (11) Å. International Union of Crystallography 2012-06-13 /pmc/articles/PMC3393279/ /pubmed/22807836 http://dx.doi.org/10.1107/S160053681202260X Text en © Vallejos et al. 2012 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 Vallejos, Javier Brito, Iván Cárdenas, Alejandro Bolte, Michael Butane-1,4-diyl bis(pyridine-3-carboxylate) |
title | Butane-1,4-diyl bis(pyridine-3-carboxylate) |
title_full | Butane-1,4-diyl bis(pyridine-3-carboxylate) |
title_fullStr | Butane-1,4-diyl bis(pyridine-3-carboxylate) |
title_full_unstemmed | Butane-1,4-diyl bis(pyridine-3-carboxylate) |
title_short | Butane-1,4-diyl bis(pyridine-3-carboxylate) |
title_sort | butane-1,4-diyl bis(pyridine-3-carboxylate) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393279/ https://www.ncbi.nlm.nih.gov/pubmed/22807836 http://dx.doi.org/10.1107/S160053681202260X |
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