Open AccessHigh‐pressure polymorphism of cyclopentanol (C 5 H 10 O): the structure of cyclopentanol phase‐V at 1.5 GPa
Author(s) -
Moggach S. A.,
Allan D. R.,
LozanoCasal P.,
Parsons S.
Publication year - 2005
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049505021461
Subject(s) - monoclinic crystal system , crystallography , crystal structure , chemistry , hydrogen bond , molecule , polymorphism (computer science) , x ray crystallography , diffraction , physics , organic chemistry , biochemistry , genotype , optics , gene
The fully ordered high‐pressure crystal structure of cyclopentanol (C 5 H 10 O) 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 P 2 1 / c space group with a = 17.882 (3), b = 5.4573 (3), c = 9.6817 (14) Å, β = 104.699 (8)° and Z ′ = 2. The crystal structure is characterized by the formation of hydrogen‐bonded molecular chains, denoted C (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.