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A monoclinic modification of propane-1,3-diyl bis-(pyridine-3-carboxyl-ate).

ABSTRACT: In the title compound, C(15)H(14)N(2)O(4), (I), the mol-ecule lies on a twofold rotation axis which passes through the central C atom of the aliphatic chain, giving one half-mol-ecule 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 ?-? inter-action [centroid-centroid distance = 4.1397?(10)Å]; this latter kind of inter-action is not evident in the triclinic polymorph.

SUBMITTER: Brito I

PROVIDER: S-EPMC3051592 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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A monoclinic modification of propane-1,3-diyl bis-(pyridine-3-carboxyl-ate).

Brito Iván I Vallejos Javier J Cárdenas Alejandro A López-Rodríguez Matías M Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

In the title compound, C(15)H(14)N(2)O(4), (I), the mol-ecule lies on a twofold rotation axis which passes through the central C atom of the aliphatic chain, giving one half-mol-ecule 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) ...[more]

PMID: 21522970

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Project description:In the title compound, [Ag(BF(4))(C(14)H(12)N(2)O(4))](n), the coordination of the Ag(+) ion is trigonal-bipyramidal with the N atoms of two ethane-1,2-diyl bis-(pyridine-3-carboxyl-ate) ligands in the apical positions and three F atoms belonging to different tetra-fluorido-borate anions in the equatorial plane. The material consists of infinite chains of [Ag(C(14)H(12)N(2)O(4))] units running along [001], held together by BF(4) (-) bridging anions.

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