The title compound, C20H23N3O6·CH3OH, was synthesized by [3 + 2] cycloaddition of (Z)-2,3-bis(3,4,5-trimethoxyphenyl)acrylonitrile with sodium azide and ammonium chloride in DMF/water. The central nitrogen of the triazole ring is protonated. The dihedral angles between the triazole ring and the 3,4,5-trimethoxyphenyl ring planes are 34.31 (4) and 45.03 (5)°, while that between the 3,4,5-trimethoxyphenyl rings is 51.87 (5)°. In the crystal, the molecules, along with two methanol solvent molecules are linked into an R 4 4(10) centrosymmetric dimer by N—H⋯O and O—H⋯N hydrogen bonds.
Digital Object Identifier (DOI)
This investigation was supported NIH/National Cancer Institute (CA140409) United States, and we also thank the Arkansas Research Alliance for financial support.
CCDC reference: 1025101
Madadi, Nikhil Reddy; Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Parkin, Sean; and Crooks, Peter A., "Crystal Structure of 4,5-bis-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole methanol monosolvate" (2014). Chemistry Faculty Publications. 29.
Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536814020911/sj5427sup1.cif
e-70-o1128-Isup2.hkl (267 kB)
Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814020911/sj5427Isup2.hkl
e-70-o1128-Isup3.cml (8 kB)
Supporting information file. DOI: 10.1107/S1600536814020911/sj5427Isup3.cml
e-70-o1128-fig1.tif (1357 kB)
A view of the asymmetric unit of the structure with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and a hydrogen bond is drawn as a dashed line. DOI: 10.1107/S1600536814020911/sj5427fig1.tif
fig.pptx (789 kB)
Figure 1: A view of the asymmetric unit of the structure with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and a hydrogen bond is drawn as a dashed line.