Abstract
Chemical preparation, crystal, and spectroscopic investigations are given for a new noncentrosymmetric pyrazolotriazine phosphonate (C23H26N5PO3). This compound crystallizes in the orthorombic space group Pbc21. X-rays diffraction shows that there are two crystallographic independent molecules. Each molecule consists of a triazine ring and a pyrazole ring sharing a C-N bond, these are linked to a phenyl and a benzyl which is grafted on a diethylphosphonyle. N-H horizontal ellipsis .N and N-H horizontal ellipsis O hydrogen bonds ensure the framework cohesion. The P-31, du C-13, and H-1 NMR spectroscopic data are in good agreement with the X-ray structure results.