(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o319-o320
[ doi:10.1107/S1600536813002547 ]

5-Amino-6-methylquinolin-1-ium hydrogen malonate-malonic acid (2/1)

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

Key indicators

Single-crystal X-ray study
T = 297 K
Mean (C-C) = 0.002 Å
R factor = 0.046
wR factor = 0.130
Data-to-parameter ratio = 17.0

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C14     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.4      
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O6     -   H106   ...       1.02 Ang. 
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.775      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          2      
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          4      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          2      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 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
   4 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check