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裸盖菇素的晶体结构。

The crystal structure of baeocystin.

作者信息

Naeem Marilyn, Sherwood Alexander M, 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.

Usona Institute, 2780 Woods Hollow Rd., Madison, WI 53711, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 May 6;78(Pt 6):550-553. doi: 10.1107/S2056989022004467. eCollection 2022 Jun 1.

DOI:10.1107/S2056989022004467
PMID:36072137
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9431787/
Abstract

The title compound, baeocystin or 4-phosphor-yloxy--methyl-tryptamine {systematic name: 3-[2-(methylazaniumyl)ethyl]-1-indol-4-yl hydrogen phosphate}, CHNOP, has a single zwitterionic mol-ecule in the asymmetric unit. The mol-ecule has an intra-molecular N-H⋯O hydrogen bond between the ammonium cation and the hydro-phosphate anion. In the crystal, the mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds into a three-dimensional network.

摘要

标题化合物,裸盖菇素或4 - 磷氧基 - N - 甲基色胺{系统名称:3 - [2 - (甲基铵基)乙基] - 1 - 吲哚 - 4 - 基磷酸氢盐},CH₁₂N₂O₄P,在不对称单元中有一个单一的两性离子分子。该分子在铵阳离子和磷酸氢根阴离子之间存在分子内N - H⋯O氢键。在晶体中,分子通过N - H⋯O和O - H⋯O氢键连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54ab/9431787/5d8cbcf5d1c0/e-78-00550-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54ab/9431787/0e6d758cc4e1/e-78-00550-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54ab/9431787/31d768e158ba/e-78-00550-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54ab/9431787/5d8cbcf5d1c0/e-78-00550-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54ab/9431787/0e6d758cc4e1/e-78-00550-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54ab/9431787/31d768e158ba/e-78-00550-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54ab/9431787/5d8cbcf5d1c0/e-78-00550-fig3.jpg

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