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一种由三（2-氨基乙基）甲烷封端的氨基甲酰甲基氧化膦化合物的晶体结构。

Crystal structure of a tris(2-amino-eth-yl)methane capped carbamoyl-methyl-phosphine oxide compound.

作者信息

Wackerle Brandon G, Werner Eric J, Staples Richard J, Biros Shannon M

机构信息

Department of Chemistry Grand Valley State University,Allendale MI 49401 USA.

Department of Chemistry and Biochemistry The University of Tampa, 401 W Kennedy Blvd Tampa FL 33606 USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Aug 30;80(Pt 9):993-996. doi: 10.1107/S2056989024008478. eCollection 2024 Sep 1.

DOI:10.1107/S2056989024008478
PMID:39267878
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11389668/
Abstract

The mol-ecular structure of the tripodal carbamoyl-methyl-phosphine oxide compound diethyl {[(5-[2-(di-eth-oxy-phosphor-yl)acetamido]-3-{2-[2-(di-eth-oxy-phos-phor-yl)acetamido]-eth-yl}pent-yl)carbamo-yl]meth-yl}phospho-nate, CHNOP, features six intra-molecular hydrogen-bonding inter-actions. The phospho-nate groups have key bond lengths ranging from 1.4696 (12) to 1.4729 (12) Å (P=O), 1.5681 (11) to 1.5811 (12) Å (P-O) and 1.7881 (16) to 1.7936 (16) Å (P-C). Each amide group adopts a nearly perfect geometry, and the geometry around each phophorus atom resembles a slightly distorted tetra-hedron.

摘要

三脚架氨基甲酰甲基氧化膦化合物二乙基{[(5-[2-(二乙氧基磷酰基)乙酰胺基]-3-{2-[2-(二乙氧基磷酰基)乙酰胺基]乙基}戊基)氨基甲酰基]甲基}膦酸酯（CHNOP）的分子结构具有六种分子内氢键相互作用。膦酸酯基团的关键键长范围为1.4696 (12)至1.4729 (12) Å（P=O）、1.5681 (11)至1.5811 (12) Å（P-O）以及1.7881 (16)至1.7936 (16) Å（P-C）。每个酰胺基团都呈现出近乎完美的几何形状，并且每个磷原子周围的几何形状类似于略微扭曲的四面体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28e8/11389668/4534dfedacf1/e-80-00993-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28e8/11389668/b69132113b95/e-80-00993-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28e8/11389668/39e6869b9a63/e-80-00993-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28e8/11389668/4534dfedacf1/e-80-00993-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28e8/11389668/b69132113b95/e-80-00993-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28e8/11389668/39e6869b9a63/e-80-00993-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28e8/11389668/4534dfedacf1/e-80-00993-fig3.jpg

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