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 mono
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.
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Metadaten
Author:Siham Dahmani, Youssef Kandri Rodi, Santiago V. Luis, Michael Bolte, Lahcen El Ammari
URN:urn:nbn:de:hebis:30:3-252765
ISSN:1600-5368
Pubmed Id:http://www.ncbi.nlm.nih.gov/pubmed?term=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:Univ.-Bibliothek Frankfurt am Main
Release Date:2012/06/25
Volume:67
Issue:o1998
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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