A low-temperature polymorph of m-quinquephenyl

• Tipo: Artigo em Revista Científica Internacional
• Data: 2012

Autores

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

Revista

Título: Acta Crystallographica Section C: Crystal Structure Communications

Vol. 68

Páginas: O492-U295

ISSN: 0108-2701

Editora: Blackwell

Indexação

ISI Web of Knowledge - 1 Citação

Scopus - 1 Citação

Classificação Científica

FOS: Ciências exactas e naturais > Química

Outras Informações

ID Authenticus: 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.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 16