Three-dimensional aggregation in 2-hydroxy-3-iodo-5-nitrobenzaldehyde involving C—H···O, iodo‒nitro and aromatic π‒π stacking interactions, and isolated dimers in disordered 2,4-diiodo-6-nitroanisole
Authors of publication
Garden, Simon J.; Cunha, Fernando R. da; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
Journal of publication
Acta Crystallographica Section C
Year of publication
2004
Journal volume
60
Journal issue
1
Pages of publication
o12 - o14
a
32.999 ± 0.002 Å
b
4.2305 ± 0.0003 Å
c
14.8328 ± 0.0011 Å
α
90°
β
95.225 ± 0.002°
γ
90°
Cell volume
2062.1 ± 0.2 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 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
0.143
Residual factor for significantly intense reflections
0.053
Weighted residual factors for significantly intense reflections
0.124
Weighted residual factors for all reflections included in the refinement
0.154
Goodness-of-fit parameter for all reflections included in the refinement
