TY  - JOUR
A1  - Brito, Iván
A1  - Vallejos, Javier
A1  - Bolte, Michael
A1  - López-Rodríguez, Matías
A1  - Cárdenas, Alejandro
T1  - Propane-1,3-diyl bis­(pyridine-4-carboxyl­ate)
T2  - Acta crystallographica / Section E, Structure reports online
N2  - The title compound. C15H14N2O4, (I), has a gauche–gauche (O/C/C/C—O/C/C/C or GG) conformation and is a positional isomer of propane-1,3-diyl bis­(pyridine-3-carboxyl­ate), (II). The mol­ecule of (I) lies on a twofold rotation axis, which passes through the central C atom of the aliphatic chain, giving one half-mol­ecule per asymmetric unit. There is excellent agreement of the geometric parameters of (I) and (II). The most obvious differences between them are the O/C/C/C—O/C/C/C torsion angles [56.6 (2)° in (I) and 174.0 (3)/70.2 (3)° in (II) for GG and TG conformations, respectively] and the dihedral angle between the planes of the aromatic rings [80.3 (10)° in (I) and 76.5 (3)° in (II)]. The crystal structure is stabilized by weak C—H ... N and C—H ... O hydrogen bonding.
Y1  - 2010
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/21914
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30-108580
SN  - 1600-5368
N1  - Copyright © Brito et al. 2010. 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.
VL  - 66
IS  - o1015
PB  - Munksgaard
CY  - Copenhagen
ER  -