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2-氨基丙二酰二氟的单质子化物种,[CHFNO][HF]。

Monoprotonated species of 2-aminomalonyl difluoride, [CHFNO][HF].

作者信息

Hollenwäger Dirk, Leitz Dominik, Bockmair Valentin, Kornath Andreas J

机构信息

Department Chemie, Ludwig-Maximilians Universität, Butenandtstrasse 5-13 (Haus D), D-81377 München, Germany.

出版信息

Acta Crystallogr C Struct Chem. 2025 Feb 1;81(Pt 2):77-81. doi: 10.1107/S2053229624012452. Epub 2025 Jan 8.

Abstract

The monoprotonated species of 2-aminomalonyl difluoride, namely, 1,3-difluoro-1,3-dioxopropan-2-aminium dihydrogen trifluoride, [CHFNO][HF], was synthesized from sulfur tetrafluoride in anhydrous hydrogen fluoride (aHF) with [NH][CHNO] as the starting material. The solvent was removed and the salt was dissolved in aHF and crystallized. In the solid state, the three-dimensional network is built by medium-strong N-H...F hydrogen bonds and C...F contacts. This is the first structure determination of an aminoacyl difluoride and the second of an aminoacyl fluoride.

摘要

以[NH][CHNO]为原料,在无水氟化氢(aHF)中由四氟化硫合成了2-氨基丙二酰二氟的单质子化物种,即1,3-二氟-1,3-二氧代丙烷-2-铵二氢三氟化物,[CHFNO][HF]。除去溶剂,将盐溶解在aHF中并结晶。在固态中,三维网络由中等强度的N-H...F氢键和C...F接触构建而成。这是首次对氨基酰基二氟化物进行结构测定,也是第二次对氨基酰基氟化物进行结构测定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b425/11795652/60c921733549/c-81-00077-fig1.jpg

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