2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change
Authors of publication
Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan
Journal of publication
Acta Crystallographica Section C
Year of publication
2005
Journal volume
61
Journal issue
5
Pages of publication
o270 - o275
a
5.0075 ± 0.0003 Å
b
11.5863 ± 0.0011 Å
c
12.2219 ± 0.0011 Å
α
87.304 ± 0.004°
β
89.327 ± 0.005°
γ
78.588 ± 0.005°
Cell volume
694.3 ± 0.1 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 K
Number of distinct elements
5
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.1368
Residual factor for significantly intense reflections
0.0525
Weighted residual factors for significantly intense reflections
0.0961
Weighted residual factors for all reflections included in the refinement
0.1178
Goodness-of-fit parameter for all reflections included in the refinement
