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 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.
| Author: | Iván Brito, Javier Vallejos, Michael Bolte, Matías López-Rodríguez, Alejandro Cárdenas |
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| 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): | 02.04.2010 |
| Date of first Publication: | 02.04.2010 |
| Publishing Institution: | Univ.-Bibliothek Frankfurt am Main |
| Volume: | 66 |
| Issue: | o1015 |
| HeBIS PPN: | 273364820 |
| Institutes: | Biochemie und Chemie |
| Dewey Decimal Classification: | 540 Chemie und zugeordnete Wissenschaften |
| Sammlungen: | Universitätspublikationen |
| 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. |
| Licence (German): |  Creative Commons - Namensnennung 3.0 |
