(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o330-o331
[ doi:10.1107/S1600536813002894 ]

1-(2-Furoyl)-3-(2-methoxy-4-nitrophenyl)thiourea

S. Pratap, D. P. Singh, S. K. Gupta, S. Ö. Yildirim and R. J. Butcher

Key indicators

Single-crystal X-ray study
T = 123 K
Mean (C-C) = 0.003 Å
R factor = 0.046
wR factor = 0.134
Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          8      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      

Alert level G
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          4      
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size ....       0.69 mm   
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........         14      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600        201      

   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
   4 ALERT level G = General information/check it is not something unexpected

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