Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
Synchrotron and standard X-ray powder diffraction (XRD) combined with IR spectroscopy and molecular simulations have been used to investigate the crystal structure of two crystalline mesogenic diols: 4,4′-bis(6-hydroxy-1-hexyloxy)biphenyl (D-I) and 4,4′-bis(11-hydroxy-1-undecyloxy)biphenyl (D-II). The crystal structure of D-I has been determined from high-resolution synchrotron powder-diffraction data collected at BM16 of the ESRF. The methods of grid search and Rietveld refinement have been used to determine this structure. The space group is Cc, with unit-cell parameters a = 44.392 (3), b = 7.221 (1), c = 6.631 (1) Å and β = 91.09 (1)°. The structure of D-II has a small degree of disorder. This structure was analyzed with a combination of experimental methods, conventional XRD, IR spectroscopy and molecular mechanics simulations, revealing the character of the structural disorder. Both the structures of D-I and D-II are lamellar-packed and layered. The hydrogen-bonding system between two adjacent layers in the structure of D-II is distorted.

Supporting information

CCDC reference: 618828

Subscribe to Journal of Synchrotron Radiation

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow J. Synchrotron Rad.
Sign up for e-alerts
Follow J. Synchrotron Rad. on Twitter
Follow us on facebook
Sign up for RSS feeds