The crystal structure of theπ-molecular compound pyrene :p-benzoquinone
- 13 January 1976
- journal article
- Published by The Royal Society in Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
- Vol. 347 (1650) , 419-434
- https://doi.org/10.1098/rspa.1976.0009
Abstract
Pyrene :p-benzoquinone (C16H 10:C6H4O2) crystallizes in the tetragonal system, with cell constants a = 7.698(2), c = 25.570(5) Å, space group P41 and four formula units per unit cell. The structure was solved by direct methods and refined to an R value of 0.048 for 778 observed reflexions. The pyrene and p-benzoquinone molecules are arranged alternately in mixed stacks, with interplanar spacing of 3.49 Å and an angle of 1.1° between molecular planes. The mixed stacks are arranged in sheets parallel to (001), successive sheets being related by the 41 axis. This type of arrangement of mixed stacks has not been encountered previously among π-molecular compounds. Neither the stacks nor their arrangement are centrosymmetric; as the component molecules are both centrosymmetric this constitutes a second unusual feature of this crystal structure.Keywords
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