(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o1546-o1547
[ doi:10.1107/S160053681201803X ]

(E)-4-Amino-N'-(5-chloro-2-hydroxybenzylidene)benzohydrazide

Z.-F. Shi and J.-M. Li

Online 28 April 2012

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.003 Å
R factor = 0.033
wR factor = 0.084
Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1A    ...          ?      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1A    ..  CL1     ..       2.94 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          5      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          9      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          2      
PLAT914_ALERT_3_C No Bijvoet Pairs in FCF for Non-centro Structure          !

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.46
           From the CIF: _reflns_number_total               2944
           Count of symmetry unique reflns         1535
           Completeness (_total/calc)            191.79%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1409
           Fraction of Friedel pairs measured     0.918
           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      
PLAT432_ALERT_2_G Short Inter X...Y Contact  O2     ..  C8      ..       2.89 Ang. 

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check