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Twinned 1-{2-[bis(4-fluoro­phenyl)­methoxy]­ethyl}-4-(3-phenyl)­propyl)­piperazinium chloride (GBR12909)

✍ Scribed by Flippen-Anderson, Judith L. ;Deschamps, Jeffrey R ;George, Clifford ;Folk, John E. ;Jacobson, Arthur E. ;Rice, Kenner C.


Publisher
International Union of Crystallography
Year
2001
Tongue
English
Weight
227 KB
Volume
58
Category
Article
ISSN
1600-5368

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✦ Synopsis


Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.008 A Ê R factor = 0.065 wR factor = 0.190 Data-to-parameter ratio = 14.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.


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The title compound, C~26~H~23~F~2~NO~3~S, a polysubstituted piperidine enol, adopts a twisted half-chair conformation. The crystal structure is stabilized by N—H...F, C—H...O and weak C—H...π interactions. An intramolecular O—H...S interaction generates an __S__(5) graph-set motif.