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Crystal structure of 5,7,12,14-tetra-hydro-5,14:7,12-bis-([1,2]benzeno)-penta-cene-6,13-dione.

ABSTRACT: The lattice of 5,7,12,14-tetra-hydro-5,14:7,12-bis-([1,2]benzeno)-penta-cene-6,13-dione, C34H20O2, at 173?K has triclinic (P-1) symmetry and crystallizes with four independent half-mol-ecules in the asymmetric unit. Each mol-ecule is generated from a C17H10O substructure through an inversion center at the centroid of the central quinone ring, generating a wide H-shaped mol-ecule, with a dihedral angle between the mean planes of the terminal benzene rings in each of the two symmetry-related pairs over the four mol-ecules of 68.6?(1) (A), 65.5?(4) (B), 62.3?(9) (C), and 65.8?(8)° (D), an average of 65.6?(1)°. This compound has applications in gas-separation membranes constructed from polymers of intrinsic microporosity (PIM). The title compound is a product of a double Diels-Alder reaction between anthracene and p-benzo-quinone followed by de-hydrogenation. It has also been characterized by cyclic voltammetry and rotating disc electrode polarography, FT-IR, high resolution mass spectrometry, elemental analysis, and 1H NMR.

SUBMITTER: Nozari M 

PROVIDER: S-EPMC5137597 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 5,7,12,14-tetra-hydro-5,14:7,12-bis-([1,2]benzeno)-penta-cene-6,13-dione.

Nozari Mohammad M   Jasinski Jerry P JP   Kaur Manpreet M   Addison Anthony W AW   Arabi Shamsabadi Ahmad A   Soroush Masoud M  

Acta crystallographica. Section E, Crystallographic communications 20161104 Pt 12

The lattice of 5,7,12,14-tetra-hydro-5,14:7,12-bis-([1,2]benzeno)-penta-cene-6,13-dione, C<sub>34</sub>H<sub>20</sub>O<sub>2</sub>, at 173 K has triclinic (<i>P</i>-1) symmetry and crystallizes with four independent half-mol-ecules in the asymmetric unit. Each mol-ecule is generated from a C<sub>17</sub>H<sub>10</sub>O substructure through an inversion center at the centroid of the central quinone ring, generating a wide H-shaped mol-ecule, with a dihedral angle between the mean planes of the te  ...[more]

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