(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o3444-o3445
[ doi:10.1107/S1600536812047642 ]

2,3-Diaminopyridinium 4-methoxyquinoline-2-carboxylate

K. Thanigaimani, N. C. Khalib, S. Arshad and I. A. Razak

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
R factor = 0.047
wR factor = 0.131
Data-to-parameter ratio = 21.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.23      
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C9     -   C10    ...       1.53 Ang. 
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.108      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          7      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         14      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   4 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   3 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
   2 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