(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o132-o133
[ doi:10.1107/S160053681205101X ]

2-Amino-5-methylpyridinium 2-hydroxy-5-chlorobenzoate

K. Thanigaimani, A. Farhadikoutenaei, S. Arshad and I. A. Razak

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.008 Å
R factor = 0.073
wR factor = 0.201
Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0079 Ang  
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         17      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          2      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT Unusually Large.       0.12      
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          4      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      

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

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