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2,4,6-三乙基-1,3,5-三[（4-甲基-1-吲唑-1-基）甲基]苯与NHPF复合物的晶体结构

Crystal structure of the complex of 2,4,6-tri-ethyl-1,3,5-tris-[(4-methyl-1-indazol-1-yl)meth-yl]-benzene with NHPF.

作者信息

Fuhrmann Felix, Meier Eric, Seichter Wilhelm, Mazik Monika

机构信息

Institut für Organische Chemie, Technische Universität Bergakademie Freiberg, Leipziger Str. 29, 09599 Freiberg, Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Jul 12;78(Pt 8):785-788. doi: 10.1107/S2056989022006867. eCollection 2022 Aug 1.

DOI:10.1107/S2056989022006867
PMID:35974813
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9361362/
Abstract

The complex of 2,4,6-tri-ethyl-1,3,5-tris-[(4-methyl-1-indazol-1-yl)meth-yl]-benz-ene with ammonium hexa-fluorophosphate, CHN·NH ·PF , crystallizes in the monoclinic space group 2 with two mol-ecules of the receptor, two NH and two PF ions in the asymmetric unit. In each of the complexes the ammonium ion resides in the cavity of the receptor mol-ecule and is fixed in its position by three N-H⋯N bonds, while the remaining hydrogen atom of the cation acts as a bifurcated binding site for N-H⋯F bonding to the counter-anion. The crystal is composed of one-dimensional supra-molecular aggregates extending along the -axis direction.

摘要

2,4,6-三乙基-1,3,5-三[（4-甲基-1-吲唑-1-基）甲基]苯与六氟磷酸铵（CHN·NH·PF）形成的配合物，在单斜空间群P21/c中结晶，不对称单元中有两个受体分子、两个NH4+和两个PF6-离子。在每个配合物中，铵离子位于受体分子的腔内，并通过三个N-H⋯N键固定在其位置上，而阳离子的其余氢原子则作为与抗衡阴离子形成N-H⋯F键的分叉结合位点。该晶体由沿b轴方向延伸的一维超分子聚集体组成。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1911/9361362/ed97e2bf7934/e-78-00785-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1911/9361362/26fde2dc82c3/e-78-00785-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1911/9361362/e5fe175d540e/e-78-00785-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1911/9361362/ed97e2bf7934/e-78-00785-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1911/9361362/26fde2dc82c3/e-78-00785-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1911/9361362/e5fe175d540e/e-78-00785-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1911/9361362/ed97e2bf7934/e-78-00785-fig3.jpg

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