(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2417-o2418 [ doi:10.1107/S1600536805020787 ]

5-Bromo-1H-indole-3-carbaldehyde 3-methoxybenzoylhydrazone

H. M. Ali, S. N. Abdul Halim and S. W. Ng

Online 6 July 2005

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.004 Å
R factor = 0.042
wR factor = 0.114
Data-to-parameter ratio = 16.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.75       
PLAT411_ALERT_2_B Short Inter H...H Contact  H11    ..  H11     ..       2.03 Ang.  

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.315     0.650
            Tmin(prime) and Tmax expected:      0.392     0.624
            RR(prime) =      0.772
            Please check that your absorption correction is appropriate.
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.96       

   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