The differing influence of halides upon supramolecular aggregation through C–X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl
Authors of publication
Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.
Journal of publication
CrystEngComm
Year of publication
2012
Journal volume
14
Journal issue
20
Pages of publication
6534
a
13.4975 ± 0.0006 Å
b
6.642 ± 0.0002 Å
c
13.5534 ± 0.0006 Å
α
90°
β
118.641 ± 0.002°
γ
90°
Cell volume
1066.39 ± 0.08 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 K
Number of distinct elements
5
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.0672
Residual factor for significantly intense reflections
0.0541
Weighted residual factors for significantly intense reflections
0.1112
Weighted residual factors for all reflections included in the refinement
0.1202
Goodness-of-fit parameter for all reflections included in the refinement
