A low-temperature polymorph of m-quinquephenyl

• Type: Article in International Scientific Journal
• Date: 2012

Authors

Ligia R Gomes (Author) Other; Alan A Howie (Author) Other; John Nicolson Low (Author) Other; Ana S M C Rodrigues (Author) Other; Luis M N B F Santos (Author) FCUP

Journal

Title: Acta Crystallographica Section C: Crystal Structure Communications

Vol. 68

Pages: O492-U295

ISSN: 0108-2701

Publisher: Blackwell

Indexing

ISI Web of Knowledge - 1 Citation

Scopus - 1 Citation

Scientific classification

FOS: Natural sciences > Chemical sciences

Other information

Authenticus ID: P-002-2TV

DOI: 10.1107/s0108270112046392

Abstract (EN): A low-temperature polymorph of 1,1':3',1 '': 3 '',1''': 3''',1''''-quinquephenyl (m-quinquephenyl), C30H22, crystallizes in the space group P2(1)/c with two molecules in the asymmetric unit. The crystal is a three-component nonmerohedral twin. A previously reported room-temperature polymorph [Rabideau, Sygula, Dhar & Fronczek (1993). Chem. Commun. pp. 17951797] also crystallizes with two molecules in the asymmetric unit in the space group P-1. The unit-cell volume for the low-temperature polymorph is 4120.5 (4) angstrom(3), almost twice that of the room-temperature polymorph which is 2102.3 (6) angstrom(3). The molecules in both structures adopt a U-shaped conformation with similar geometric parameters. The structural packing is similar in both compounds, with the molecules lying in layers which stack perpendicular to the longest unit-cell axis. The molecules pack alternately in the layers and in the stacked columns. In both polymorphs, the only interactions between the molecules which can stabilize the packing are very weak C-H center dot center dot center dot pi interactions.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 16