Pseudosymmetry with Z '=4 in 1,3-propanesultone at 100 K

Citation
Dr. Billodeaux et al., Pseudosymmetry with Z '=4 in 1,3-propanesultone at 100 K, ACT CRYST C, 55, 1999, pp. 2126-2129
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
55
Year of publication
1999
Part
12
Pages
2126 - 2129
Database
ISI
SICI code
0108-2701(199912)55:<2126:PWZ'I1>2.0.ZU;2-V
Abstract
The asymmetric unit of the low-melting title compound, C3H6O3S, contains fo ur molecules at low temperature. The conformations of two of the five-membe red rings are envelopes, one has the half-chair conformation, and the fourt h is intermediate between an envelope and a half-chair. S=O distances range from 1.424(2) to 1.436(2) Angstrom, S-O distances from 1.582(2) to 1.587(2 ) Angstrom, and S-C distances from 1.760(3) to 1.776 (3) Angstrom. The crys tal structure contains approximate centers, 2(1) screw axes, and translatio ns. Above 180 K, the compound exists as a polymorph in which these symmetry operations are exact, and Z' = 1.