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

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

doi:10.1107/S2056989024008478

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

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

Authors

Brandon G Wackerle¹, Eric J Werner², Richard J Staples³, Shannon M Biros¹

Affiliations

¹ Department of Chemistry Grand Valley State University,Allendale MI 49401 USA.
² Department of Chemistry and Biochemistry The University of Tampa, 401 W Kennedy Blvd Tampa FL 33606 USA.
³ Center for Crystallographic Research, Department of Chemistry, Michigan State University, East Lansing, MI 48824, USA.

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, C₂₅H₅₂N₃O₁₂P₃, 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 trans geometry, and the geometry around each phophorus atom resembles a slightly distorted tetra-hedron.

Keywords: carbamoylmethylphosphine oxide; crystal structure; intermolecular hydrogen bond; intramolecular hydrogen bond.

Grants and funding

This work was funded by National Science Foundation, Directorate for Mathematical and Physical Sciences grant CHE-2102576; National Science Foundation, Directorate for Mathematical and Physical Sciences grant CHE-2102381; National Science Foundation, Directorate for Mathematical and Physical Sciences grant CHE-1919565; National Science Foundation, Directorate for Mathematical and Physical Sciences grant CHE-1559886.