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:	Debra J. Carroll, Neil S. Mandel, Gretchen S. Mandel
Rok vydání:	1983
Předmět:	chemistry.chemical_classification Chemistry Hydrogen bond Ether General Chemistry Crystal structure Condensed Matter Physics Ring (chemistry) chemistry.chemical_compound Crystallography Structural Biology Molecule Orthorhombic crystal system Hydroxymethyl Spectroscopy Lactone
Zdroj:	Journal of Crystallographic and Spectroscopic Research. 13:9-17
ISSN:	1572-8854 0277-8068
DOI:	10.1007/bf01666792
Popis:	The title compound is C16H20O5, MW=292.3, orthorhombic,P212121,a=9.741(2),b=29.391(7),c=5.354(1) A from diffractometer measurements,V=1532.8 A3,Z=4,D c =1.267 g cm−3,D o =1.271 g cm−3 (ether/1,1,2,2-tetrabromoethane), λ(Mo Kα)=0.71069 A,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:	OpenAIRE
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