Propane-1,3-diyl bis­(pyridine-4-carboxyl­ate)

The title compound. C15H14N2O4, (I), has a gauche–gauche (O/C/C/C—O/C/C/C or GG) conformation and is a positional isomer of propane-1,3-diyl bis­(pyridine-3-carboxyl­ate), (II). The mol­ecule of (I) lies on a twofold rot
The title compound. C15H14N2O4, (I), has a gauche–gauche (O/C/C/C—O/C/C/C or GG) conformation and is a positional isomer of propane-1,3-diyl bis­(pyridine-3-carboxyl­ate), (II). The mol­ecule of (I) lies on a twofold rotation axis, which passes through the central C atom of the aliphatic chain, giving one half-mol­ecule per asymmetric unit. There is excellent agreement of the geometric parameters of (I) and (II). The most obvious differences between them are the O/C/C/C—O/C/C/C torsion angles [56.6 (2)° in (I) and 174.0 (3)/70.2 (3)° in (II) for GG and TG conformations, respectively] and the dihedral angle between the planes of the aromatic rings [80.3 (10)° in (I) and 76.5 (3)° in (II)]. The crystal structure is stabilized by weak C—H ... N and C—H ... O hydrogen bonding.
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Metadaten
Author:Iván Brito, Javier Vallejos, Michael Bolte, Matías López-Rodríguez, Alejandro Cárdenas
URN:urn:nbn:de:hebis:30-108580
DOI:http://dx.doi.org/10.1107/S1600536810011700
ISSN:1600-5368
Pubmed Id:http://www.ncbi.nlm.nih.gov/pubmed?term=21579079
Parent Title (English):Acta crystallographica : Section E, Structure reports online
Publisher:Munksgaard
Place of publication:Copenhagen
Document Type:Article
Language:English
Date of Publication (online):2010/04/02
Date of first Publication:2010/04/02
Publishing Institution:Univ.-Bibliothek Frankfurt am Main
Release Date:2011/06/20
Volume:66
Issue:o1015
Note:
Copyright © Brito et al. 2010. 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.
HeBIS PPN:273364820
Institutes:Biochemie und Chemie
Dewey Decimal Classification:540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung 3.0

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