A monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate)
In the title compound, C15H14N2O4, (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 pi–pi interaction [centroid–centroid distance = 4.1397 (10)Å]; this latter kind of interaction is not evident in the triclinic polymorph.
| Author: | Iván Brito, Javier Vallejos, Alejandro Cárdenas, Matías López-Rodríguez, Michael Bolte |
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| URN: | urn:nbn:de:hebis:30-108302 |
| DOI: | http://dx.doi.org/10.1107/S1600536810054309 |
| ISSN: | 1600-5368 |
| Pubmed Id: | http://www.ncbi.nlm.nih.gov/pubmed?term=21522970 |
| Parent Title (English): | Acta crystallographica : Section E, Structure reports online |
| Document Type: | Article |
| Language: | English |
| Date of Publication (online): | 08.01.2011 |
| Date of first Publication: | 08.01.2011 |
| Publishing Institution: | Univ.-Bibliothek Frankfurt am Main |
| Source: | Acta Crystallographica Section E: Structure Reports Online, 67(Pt 2): o278. ; doi: 10.1107/S1600536810054309 |
| HeBIS PPN: | 272717762 |
| Institutes: | Biochemie und Chemie |
| Dewey Decimal Classification: | 540 Chemie und zugeordnete Wissenschaften |
| Sammlungen: | Universitätspublikationen |
| Note: | 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): |  Veröffentlichungsvertrag für Publikationen ohne Print on Demand |
