Short Note
Version 1
Preserved in Portico This version is not peer-reviewed
Cocrystal of Codeine and Cyclopentobarbital
Version 1
: Received: 2 August 2023 / Approved: 2 August 2023 / Online: 3 August 2023 (08:21:53 CEST)
A peer-reviewed article of this Preprint also exists.
Gelbrich, T.; Schinke, J.; Griesser, U.J. Cocrystal of Codeine and Cyclopentobarbital. Molbank 2023, 2023, M1722. Gelbrich, T.; Schinke, J.; Griesser, U.J. Cocrystal of Codeine and Cyclopentobarbital. Molbank 2023, 2023, M1722.
Abstract
The two-component compound formed by codeine and cyclopentobarbital was produced by grinding techniques and by evaporation from alcoholic solutions. The cocrystal nature of this phase was established unequivocally by single crystal X-ray structure determination. The asym-metric unit contains one formula unit. In the cyclopentobarbital molecule, the cyclopentenyl ring is disordered over two positions related by a rotation of approximately 180° about its C‒C bond to the pyrimidine ring. The two NH groups of the cyclopentobarbital molecule form N—H···N and N—H···O bonds to piperidine and hydroxyl groups, respectively, belonging to different codeine molecules. In addition, the hydroxyl and methoxy groups of neighboring codeine molecules are linked by O—H···O interactions, resulting H-bonded framework structure of codeine and cyclo-pentobarbital molecules. The cocrystal was also characterized by thermal analysis, X-ray powder diffraction and IR spectroscopy.
Keywords
barbiturate; co-crystal; crystal structure; hydrogen bonding; opiate; pharmaceuticals
Subject
Chemistry and Materials Science, Organic Chemistry
Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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