(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, o909 [ doi:10.1107/S1600536809010575 ]

N'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-3,4,5-trihydroxybenzohydrazide methanol solvate

A. A. Abdul Alhadi, H. M. Ali and S. W. Ng

Online 28 March 2009

Key indicators

Single-crystal X-ray study
T = 123 K
Mean (C-C) = 0.002 Å
R factor = 0.023
wR factor = 0.068
Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.83 Ratio

Alert level C
            Value of measurement temperature given =   123.000
            Value of melting point given =     0.000
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
            identifier.
            tan
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT731_ALERT_1_C Bond    Calc     0.83(3), Rep   0.828(10) ......       3.00 su-Ra
              O3   -H3      1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc     0.83(3), Rep   0.828(10) ......       3.00 su-Ra
              O6   -H6      1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.83(3), Rep   0.830(10) ......       3.00 su-Ra
              O3   -H3      1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.83(3), Rep   0.830(10) ......       3.00 su-Ra
              O6   -H6      1.555   1.555                                      
PLAT736_ALERT_1_C H...A   Calc     2.05(4), Rep   2.050(10) ......       4.00 su-Ra
              H3   -O6      1.555   7.567                                      
PLAT736_ALERT_1_C H...A   Calc     1.79(3), Rep   1.790(10) ......       3.00 su-Ra
              H5   -O2      1.555   4.546                                      
PLAT736_ALERT_1_C H...A   Calc     2.04(3), Rep   2.040(10) ......       3.00 su-Ra
              H6   -O2      1.555   1.555                                      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      
PLAT062_ALERT_4_G Rescale T(min) & T(max) by .....................       0.99      

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

  10 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check