(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o2698
[ doi:10.1107/S1600536812034848 ]

(E)-4-Hydroxy-N'-(2-hydroxy-5-iodobenzylidene)benzohydrazide methanol monosolvate

P. Mahboubi Anarjan, H. H. Monfared, N. B. Arslan, C. Kazak and R. Bikas

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.009 Å
R factor = 0.036
wR factor = 0.090
Data-to-parameter ratio = 10.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT915_ALERT_3_B Low Friedel Pair Coverage ......................         25 Perc.

Alert level C
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0090 Ang  
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          4      

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           26.37
           From the CIF: _reflns_number_total               2094
           Count of symmetry unique reflns         1675
           Completeness (_total/calc)            125.01%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       419
           Fraction of Friedel pairs measured     0.250
           Are heavy atom types Z>Si present        yes
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          4      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   5 ALERT level G = General information/check it is not something unexpected

   2 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
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check