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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....

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Detalles Bibliográficos
Autores principales: Vallejos, Javier, Brito, Iván, Cárdenas, Alejandro, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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