STRUCTURE OF PCH4

Authors
IBRAHIM IH PAULUS H MOKHLES M HAASE W
Citation
Ih. Ibrahim et al., STRUCTURE OF PCH4, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 299, 1997, pp. 497-501
Citations number
8
Categorie Soggetti
Crystallography
Journal title
Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals → ACNP
ISSN journal
1058725X
Volume
299
Year of publication
1997
Pages
497 - 501
Database
ISI
SICI code
1058-725X(1997)299:<497:SOP>2.0.ZU;2-I
Abstract
The crystal and molecular structure of the mesogenic trans-4-n-butyl-( 4'-cyanophenyl)-cyclohexane (PCH4) has been determined using single cr ystal X-ray diffraction data. The crystals belong to the monoclinic sy stem with space group P2(1)/c, a=17.006(6), b=5.764(2), c=15.526(5)Ang strom, beta=96.73(1)degrees, Z=4. The structure of PCH4 has been solve d by direct methods and refined to R-value of 0.0484 for 1779 observed reflections. All the molecules occur in their extended form. The crys tal packing involves a centrosymmetric head-to-tail pairing of molecul es, so that individual molecular dipoles are opposed. A cyano-cyano we ak interaction is indicated.