Desvenlafaxinium chloranilate ethyl acetate solvate

Manpreet Kaur and Jasinski, J. P. and Butcher, Ray J. and Yathirajan, H. S. and Byrappa, K. (2013) Desvenlafaxinium chloranilate ethyl acetate solvate. Acta Crystallographica Section E: Structure Reports Online, 69 (10). o1556-o1557. ISSN 1600-5368

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Abstract

In the cation of the title compound, C16H26NO2 +·C6HCl2O4 -·C4H8O2, the 1-hydroxy-cyclohexyl ring adopts a slightly distorted chair conformation. The dihedral angle between the mean planes of the 1-hydroxycyclohexyl and 4-hydroxyphenyl rings is 84.0 (8)°. In the anion, the hydroxyl H atom is twisted slightly out of the ring plane with a C - C - O - H torsion angle of -171.9°. Disorder was modeled for the methyl group of the acetate group in the solvate with an occupancy ratio of 0.583 (15): 0.417 (15). In the crystal, O - H�O hydrogen bonds are observed between cations and between cations and anions, while bifuricated N - H�(O,O) cation-anion hydrogen bonds are also present, forming chains along 010 and 100. In addition weak cation-anion and cation-solvate C - H�O interactions occur.

Item Type:	Article
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Chemistry
Depositing User:	Arshiya Kousar Library Assistant
Date Deposited:	11 Oct 2019 05:21
Last Modified:	11 Jul 2022 09:25
URI:	http://eprints.uni-mysore.ac.in/id/eprint/8819

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