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High-pressure polymorphism of cyclopentanol (C5H10O): the structure of cyclopentanol phase-V at 1.5 GPa

DOI: 10.1107/S0909049505021461 DOI Help
PMID: 16120982 PMID Help

Authors: S. A. Moggach (The University of Edinburgh) , D. R. Allan (Diamond Light Source) , P. Lozano-casal (Centre for Science at Extreme Conditions, The University of Edinburgh, U.K.) , S. Parsons (Centre for Science at Extreme Conditions, The University of Edinburgh, U.K.)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Synchrotron Radiation , VOL 12 , PAGES 590-597

State: Published (Approved)
Published: September 2005

Abstract: The fully ordered high-pressure crystal structure of cyclopentanol (C5H10O) has been solved using single-crystal X-ray diffraction techniques on station 9.8 at the SRS Daresbury Laboratory. At pressures above 1.5 GPa, cyclopentanol crystallizes in the monoclinic P2(1)/c space group with a = 17.882 (3), b = 5.4573 (3), c = 9.6817 (14) angstrom, beta = 104.699 (8)degrees and Z' = 2. The crystal structure is characterized by the formation of hydrogen-bonded molecular chains, denoted C-2(2)(4) in graph set notation, which lie parallel to the crystallographic c-axis, with the molecules adopting a pseudo fourfold arrangement around the central core of hydrogen bonds.

Journal Keywords: High Pressure; Single-Crystal Diffraction; Small-Molecule

Subject Areas: Chemistry

Facility: Daresbury Laboratory, U.K.

Added On: 01/04/2012 13:26

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