3-Allyl-6-bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one
- 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 π–π interaction [centroid–centroid distance = 4.1397 (10)Å]; this latter kind of interaction is not evident in the triclinic polymorph.
| Author: | Siham Dahmani, Youssef Kandri Rodi, Santiago V. Luis, Michael BolteORCiD, Lahcen El Ammari |
|---|---|
| URN: | urn:nbn:de:hebis:30:3-252765 |
| DOI: | https://doi.org/10.1107/S1600536811025037 |
| ISSN: | 1600-5368 |
| Pubmed Id: | https://pubmed.ncbi.nlm.nih.gov/22091032 |
| 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): | 2011/07/09 |
| Date of first Publication: | 2011/07/09 |
| Publishing Institution: | Universitätsbibliothek Johann Christian Senckenberg |
| Release Date: | 2012/06/25 |
| Volume: | 67 |
| Issue: | o1998 |
| Page Number: | 9 |
| HeBIS-PPN: | 357575830 |
| Institutes: | Biochemie, Chemie und Pharmazie / Biochemie und Chemie |
| Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Sammlungen: | Universitätspublikationen |
| Licence (German): |  Creative Commons - Namensnennung 3.0 |
