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A monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate)
In the title compound, C(15)H(14)N(2)O(4), (I), the molecule lies on a twofold rotation axis which passes through the central C atom of the aliphatic chain, giving one half-molecule per asymmetric unit. The structure is a monoclinic polymorph of the triclinic structure previously reported [Brito,...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051592/ https://www.ncbi.nlm.nih.gov/pubmed/21522970 http://dx.doi.org/10.1107/S1600536810054309 |
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author | Brito, Iván Vallejos, Javier Cárdenas, Alejandro López-Rodríguez, Matías Bolte, Michael |
author_facet | Brito, Iván Vallejos, Javier Cárdenas, Alejandro López-Rodríguez, Matías Bolte, Michael |
author_sort | Brito, Iván |
collection | PubMed |
description | In the title compound, C(15)H(14)N(2)O(4), (I), the molecule lies on a twofold rotation axis which passes through the central C atom of the aliphatic chain, giving one half-molecule per asymmetric unit. The structure is a monoclinic polymorph of the triclinic structure previously reported [Brito, Vallejos, Bolte & López-Rodríguez (2010). Acta Cryst. E66, o792], (II). The most obvious difference between them is the O/C/C/C—O/C/C/C torsion angle [58.2 (7)° in (I) and 173.4 (3)/70.2 (3)° in (II) for GG and TG conformations, respectively]. Another important difference is observed in the dihedral angle between the planes of the aromatic rings [86.49 (7)° for (I) and 76.4 (3)° for (II)]. The crystal structure features a weak π–π interaction [centroid–centroid distance = 4.1397 (10)Å]; this latter kind of interaction is not evident in the triclinic polymorph. |
format | Text |
id | pubmed-3051592 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30515922011-04-26 A monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate) Brito, Iván Vallejos, Javier Cárdenas, Alejandro López-Rodríguez, Matías Bolte, Michael Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(14)N(2)O(4), (I), the molecule lies on a twofold rotation axis which passes through the central C atom of the aliphatic chain, giving one half-molecule per asymmetric unit. The structure is a monoclinic polymorph of the triclinic structure previously reported [Brito, Vallejos, Bolte & López-Rodríguez (2010). Acta Cryst. E66, o792], (II). The most obvious difference between them is the O/C/C/C—O/C/C/C torsion angle [58.2 (7)° in (I) and 173.4 (3)/70.2 (3)° in (II) for GG and TG conformations, respectively]. Another important difference is observed in the dihedral angle between the planes of the aromatic rings [86.49 (7)° for (I) and 76.4 (3)° for (II)]. The crystal structure features a weak π–π interaction [centroid–centroid distance = 4.1397 (10)Å]; this latter kind of interaction is not evident in the triclinic polymorph. International Union of Crystallography 2011-01-08 /pmc/articles/PMC3051592/ /pubmed/21522970 http://dx.doi.org/10.1107/S1600536810054309 Text en © Brito et al. 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 Brito, Iván Vallejos, Javier Cárdenas, Alejandro López-Rodríguez, Matías Bolte, Michael A monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate) |
title | A monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate) |
title_full | A monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate) |
title_fullStr | A monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate) |
title_full_unstemmed | A monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate) |
title_short | A monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate) |
title_sort | monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051592/ https://www.ncbi.nlm.nih.gov/pubmed/21522970 http://dx.doi.org/10.1107/S1600536810054309 |
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