Energetic analysis of the molecular packing of 5,5'-dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine: the role of π‒π and halogen interactions
Authors of publication
Abboud, Mohamed; Mamane, Victor; Aubert, Emmanuel
Journal of publication
Acta Crystallographica Section C
Year of publication
2013
Journal volume
69
Journal issue
1
Pages of publication
56 - 60
a
21.4175 ± 0.0002 Å
b
5.9779 ± 0.0001 Å
c
17.6539 ± 0.0002 Å
α
90°
β
106.648 ± 0.001°
γ
90°
Cell volume
2165.51 ± 0.05 Å3
Cell temperature
110 ± 2 K
Ambient diffraction temperature
110 ± 2 K
Number of distinct elements
5
Space group number
15
Hermann-Mauguin space group symbol
C 1 2/c 1
Hall space group symbol
-C 2yc
Residual factor for all reflections
0.0168
Residual factor for significantly intense reflections
0.0166
Weighted residual factors for significantly intense reflections
0.0442
Weighted residual factors for all reflections included in the refinement
0.0443
Goodness-of-fit parameter for all reflections included in the refinement