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.

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Metadaten
Author:Iván Brito, Javier Vallejos, Alejandro Cárdenas, Matías López-Rodríguez, Michael BolteORCiD
URN:urn:nbn:de:hebis:30-108302
DOI:https://doi.org/10.1107/S1600536810054309
ISSN:1600-5368
Pubmed Id:https://pubmed.ncbi.nlm.nih.gov/21522970
Parent Title (English):Acta crystallographica / Section E, Structure reports online
Document Type:Article
Language:English
Year of Completion:2011
Date of first Publication:2011/01/08
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2011/06/17
Volume:67
Issue:o278
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.
Source:Acta Crystallographica Section E: Structure Reports Online, 67(Pt 2): o278. ; doi: 10.1107/S1600536810054309
HeBIS-PPN:272717762
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):License LogoDeutsches Urheberrecht

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