Acta Cryst. (2006). E62, o980-o982  [ doi:10.1107/S1600536806004132 ]

N,N-Dimethyl-1-phenylsulfonyl-1H-pyrrole-3-sulfonamide

D. A. Grossie, D. J. Malwitz and D. M. Ketcha

Online 10 February 2006

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.003 Å
• R factor = 0.047
• wR factor = 0.109
• Data-to-parameter ratio = 14.9

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.754     0.920
            Tmin(prime) and Tmax expected:      0.902     0.918
            RR(prime) =      0.835
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.83       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster