7,7-Dimethyl-5H-dibenzo[e,i][1,4,8]triazacycloundecine-6,9,15(7H,8H,14H)-trione pyridine solvate.
The X-ray crystal structure and hydrogen-bonding patterns of the title compound, C18H17N3O3.C5H5N, a non-N-alkylated cyclotripeptide containing one alpha- and two beta-amino acids, are reported. The amides in the 11-membered ring have an unprecedented all-transoid configuration. The torsion angles and Dunitz parameters describing non-planarity of the amides contained in the cyclotripeptide are discussed.
Morris
James C
JC
The Department of Chemistry, The University of Vermont, Burlington, VT 05405, USA. jcmorris@uvm.edu
Gordon-Wylie
Scott W
SW
Clark
George R
GR
D000577:Amides / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006575:Heterocyclic Compounds, 3-Ring / Q000737:chemistry*; D006860:Hydrogen Bonding; D007769:Lactams / Q000737:chemistry*; D047028:Macrocyclic Compounds / Q000737:chemistry*; D015394:Molecular Structure; D012995:Solubility
C517994:7,7-dimethyl-5H-dibenzo(e,i)(1,4,8)triazacycloundecine-6,9,15-(7H,8H,14H)-trione; D000577:Amides; D006575:Heterocyclic Compounds, 3-Ring; D007769:Lactams; D047028:Macrocyclic Compounds