The structure of 2R-(3′S-benzyloxy-5′S-hydroxy-2′R-hydroxymethyl-1′-oxacyclohexan-6′S-yl)-propionic acid-1,5′-lactone, C16H20O5

Autor: Carroll, Debra J., Mandel, Gretchen S., Mandel, Neil S.
Zdroj: Journal of Chemical Crystallography; February 1983, Vol. 13 Issue: 1 p9-17, 9p
Abstrakt: The title compound is C16H20O5, MW=292.3, orthorhombic,P212121,a=9.741(2),b=29.391(7),c=5.354(1) Å from diffractometer measurements,V=1532.8 Å3,Z=4,Dc=1.267 g cm-3,Do=1.271 g cm-3 (ether/1,1,2,2-tetrabromoethane), ?(Mo Ka)=0.71069 Å,F(000)=624,µ=1.02 cm-1, crystal dimensions 0.23×0.23×0.40 mm,R=0.049 for 1164 observed reflections. The molecule contains a possibly significant asymmetric ether linkage between the oxacyclohexane ring and the highly anisotropic benzyl ring. The packing consists of zigzagged chains parallel to thea-axis formed by hydrogen bonds. The chains are separated by van der Waals contacts.
Databáze: Supplemental Index
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