Butane-1,4-diyl bis-(pyridine-3-carboxyl-ate)
Molecules of the title compound (alternative name: butane-1,4-diyl dinicotinate), C16H16N2O4, 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.
| Author: | Javier Vallejos, Iván Brito, Alejandro Cárdenas, Michael Bolte |
|---|---|
| URN: | urn:nbn:de:hebis:30:3-258590 |
| DOI: | http://dx.doi.org/10.1107/S160053681202260X |
| ISSN: | 1600-5368 |
| Pubmed Id: | http://www.ncbi.nlm.nih.gov/pubmed?term=22807836 |
| 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): | 01.07.2012 |
| Date of first Publication: | 01.07.2012 |
| Publishing Institution: | Univ.-Bibliothek Frankfurt am Main |
| Volume: | 68 |
| Issue: | o2007 |
| Institutes: | Biochemie und Chemie |
| Dewey Decimal Classification: | 540 Chemie und zugeordnete Wissenschaften |
| Sammlungen: | Universitätspublikationen |
| Licence (German): |  Creative Commons - Namensnennung 3.0 |
