Aryl-substituents moderate the nature of hydrogen bonds, N–H⋯N versus N–H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters
Authors of publication
Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.
Journal of publication
CrystEngComm
Year of publication
2013
Journal volume
15
Journal issue
24
Pages of publication
4917
a
22.1366 ± 0.0006 Å
b
10.4274 ± 0.0003 Å
c
10.7186 ± 0.0003 Å
α
90°
β
90°
γ
90°
Cell volume
2474.14 ± 0.12 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 K
Number of distinct elements
4
Space group number
29
Hermann-Mauguin space group symbol
P c a 21
Hall space group symbol
P 2c -2ac
Residual factor for all reflections
0.054
Residual factor for significantly intense reflections
0.039
Weighted residual factors for significantly intense reflections
0.085
Weighted residual factors for all reflections included in the refinement
0.092
Goodness-of-fit parameter for all reflections included in the refinement
