(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2299-o2300 [ doi:10.1107/S1600536805019707 ]

5-Chloro-2-nitroaniline

S. W. Ng

Online 30 June 2005

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.002 Å
R factor = 0.041
wR factor = 0.122
Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.505     0.955
            Tmin' and Tmax expected:      0.855     0.995
            RR' =      0.616
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.61       

Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       1.04       
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     -   N2      ..       5.05 su    

   0 ALERT level A = In general: serious problem
   2 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
   1 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
   1 ALERT type 4 Improvement, methodology, query or suggestion