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Crystal structure of ivermectin hemihydrate ethanolate, (C48H74O14)(H2O)0.5(C2H5OH)0.82

Published online by Cambridge University Press:  15 September 2021

James A. Kaduk*
Illinois Institute of Technology, 3101 S. Dearborn St., Chicago, Illinois 60616, USA North Central College, 131 S. Loomis St., Naperville, Illinois 60540, USA
Allison Tanis
North Central College, 131 S. Loomis St., Naperville, Illinois 60540, USA
Alyssa Tovar
North Central College, 131 S. Loomis St., Naperville, Illinois 60540, USA
Nicholas C. Boaz
North Central College, 131 S. Loomis St., Naperville, Illinois 60540, USA
Amy M. Gindhart
ICDD, 12 Campus Blvd., Newtown Square, Pennsylvania 19073-3273, USA
Thomas N. Blanton
ICDD, 12 Campus Blvd., Newtown Square, Pennsylvania 19073-3273, USA
a)Author to whom correspondence should be addressed. Electronic mail:


The crystal structure of ivermectin hemihydrate ethanolate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Ivermectin hemihydrate ethanolate crystallizes in space group C2 (#5) with a = 40.9374(10), b = 9.26951(6), c = 14.9488(2) Å, β = 73.047(1)°, V = 5426.12(8) Å3, and Z = 4. The structure consists of layers of ivermectin molecules parallel to the bc-plane. The water and ethanol molecules reside in small voids in the structure. The water molecule, the ethanol molecule, and hydroxyl groups act as donors in O–H⋯O hydrogen bonds. Several C–H⋯O hydrogen bonds were detected. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™.

New Diffraction Data
Copyright © The Author(s), 2021. Published by Cambridge University Press on behalf of International Centre for Diffraction Data

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