(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o153-o154
[ doi:10.1107/S1600536812051112 ]

N-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)acetamide-pyrrolidine-2,5-dione (1/1)

G.-Z. Gou, J.-F. Kou, Q.-D. Zhou and S.-M. Chi

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.012 Å
R factor = 0.051
wR factor = 0.164
Data-to-parameter ratio = 11.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT431_ALERT_2_B Short Inter HL..A  Contact  Br1    ..  O3      .       3.03 Ang. 

Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors of         C15     
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0115 Ang  
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.250      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          4      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          2      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C10     
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C12     

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   5 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

   2 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