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-环己基色胺:游离碱、溴化物和富马酸盐。

-Cyclo-hexyl-tryptamine: freebase, bromide and fumarate.

作者信息

Naeem Marilyn, Le Alexander N, Bauer Barbara E, Chadeayne Andrew R, Golen James A, Manke David R

机构信息

University of Massachusetts Dartmouth, 285 Old Westport Road, North Dartmouth, MA 02747, USA.

CaaMTech, Inc., 58 East Sunset Way, Suite 209, Issaquah, WA 98027, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 Jul 25;79(Pt 8):752-756. doi: 10.1107/S2056989023006217. eCollection 2023 Jul 1.

Abstract

The solid-state structures of -cyclo-hexyl-tryptamine () {systematic name: -[2-(1-indol-3-yl)eth-yl]cyclo-hexa-namine}, CHN, and two of its salts, -cyclo-hexyl-tryptammonium bromide () {systematic name: -[2-(1-indol-3-yl)eth-yl]cyclo-hexa-naminium bromide}, CHN ·Br, and -cyclo-hexyl-tryptammonium fumarate () (systematic name: bis-{-[2-(1-indol-3-yl)eth-yl]cyclo-hexa-naminium} (2)-but-2-enedioate), 2CHN ·CHO , were determined by single-crystal X-ray diffraction. The freebase compound forms infinite chains along [010] through N-H⋯N hydrogen bonds. The bromide salt is held together by N-H⋯Br inter-actions in two-dimensional sheets along (001). The fumarate salt is held together in infinite three-dimensional frameworks by N-H⋯O hydrogen bonds.

摘要

-环己基色胺(){系统命名:-[2-(1-吲哚-3-基)乙基]环己胺}、C₁₃H₂₀N₂及其两种盐,-环己基色胺溴化物(){系统命名:-[2-(1-吲哚-3-基)乙基]环己铵溴化物}、C₁₃H₂₀N₂·Br以及-环己基色胺富马酸盐()(系统命名:双-{-[2-(1-吲哚-3-基)乙基]环己铵}(2)-丁二酸酯)、2C₁₃H₂₀N₂·C₄H₄O₄的固态结构通过单晶X射线衍射确定。游离碱化合物通过N-H⋯N氢键沿[010]形成无限链。溴化物盐通过N-H⋯Br相互作用在沿(001)的二维片层中结合在一起。富马酸盐通过N-H⋯O氢键在无限的三维框架中结合在一起。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9a75/10439405/afebaf1c46bf/e-79-00752-fig1.jpg

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