Pham Duyen N K, Chadeayne Andrew R, Golen James A, Manke David R
University of Massachusetts Dartmouth, 285 Old Westport Road, North Dartmouth, MA 02747, USA.
CaaMTech, LLC, 58 East Sunset Way, Suite 209, Issaquah, WA 98027, USA.
Acta Crystallogr E Crystallogr Commun. 2021 Jan 29;77(Pt 2):190-194. doi: 10.1107/S2056989021000803. eCollection 2021 Feb 1.
The solid-state structure of the bufotenine derivative bis-(5-meth-oxy-2,,-tri-methyl-tryptammonium) (5-MeO-2-Me-DMT) fumarate (systematic name: bis-{[2-(5-meth-oxy-2-methyl-1-indol-3-yl)eth-yl]di-methyl-aza-nium} (2)-but-2-enedioate), 2CHNO·CHO , the bufotenidine derivative 5-meth-oxy-2,,,-tetra-methyl-tryptammonium (5-MeO-2-Me-TMT) iodide {systematic name: [2-(5-meth-oxy-2-methyl-1-indol-3-yl)eth-yl]tri-methyl-aza-nium iodide}, CHNO·I, and the hydrate of the same {systematic name: [2-(5-meth-oxy-2-methyl-1-indol-3-yl)eth-yl]tri-methyl-aza-nium iodide monohydrate}, CHNO·I·HO, are reported. The structure of 5-MeO-2-Me-DMT fumarate possesses one tryptammonium cation and a half of a fumarate dianion in the asymmetric unit, linked together by N-H⋯O hydrogen bonds in infinite two-dimensional networks parallel to the (101) plane. The structure of 5-MeO-2-Me-TMT iodide possesses one tryptammonium cation and one iodide anion in the asymmetric unit. The ions are linked N-H⋯I hydrogen bonds, and indoles are coupled in dimers through π-π inter-actions. The hydrate of 5-MeO-2-Me-TMT iodide possesses one tryptammonium cation, one iodide anion and one water mol-ecule in the asymmetric unit. It shows N-H⋯I and O-H⋯I hydrogen bonds that couple the tryptammonium cations into dimers.
报道了蟾蜍色胺衍生物富马酸双 -（5 - 甲氧基 - 2， - 三甲基 - 色胺）（5 - MeO - 2 - Me - DMT）（系统名称：双-{[2 - （5 - 甲氧基 - 2 - 甲基 - 1 - 吲哚 - 3 - 基）乙基]二甲基氮鎓}（2）- 丁 - 2 - 烯二酸酯），2C₁₃H₂₀NO·C₄H₄O₄，蟾蜍特宁衍生物5 - 甲氧基 - 2，，， - 四甲基 - 色胺（5 - MeO - 2 - Me - TMT）碘化物{系统名称：[2 - （5 - 甲氧基 - 2 - 甲基 - 1 - 吲哚 - 3 - 基）乙基]三甲基氮鎓碘化物}，C₁₃H₂₀NO·I，以及其水合物{系统名称：[2 - （5 - 甲氧基 - 2 - 甲基 - 1 - 吲哚 - 3 - 基）乙基]三甲基氮鎓碘化物一水合物}，C₁₃H₂₀NO·I·H₂O的固态结构。5 - MeO - 2 - Me - DMT富马酸酯的结构在不对称单元中具有一个色胺阳离子和半个富马酸二价阴离子，通过N - H⋯O氢键在平行于（101）平面的无限二维网络中连接在一起。5 - MeO - 2 - Me - TMT碘化物的结构在不对称单元中具有一个色胺阳离子和一个碘阴离子。离子通过N - H⋯I氢键连接，吲哚通过π - π相互作用形成二聚体。5 - MeO - 2 - Me - TMT碘化物的水合物在不对称单元中具有一个色胺阳离子、一个碘阴离子和一个水分子。它显示出将色胺阳离子连接成二聚体的N - H⋯I和O - H⋯I氢键。
