Acta Cryst. (2010). E66, o1491-o1492  [ doi:10.1107/S1600536810019240 ]

(E)-1-[1-(6-Bromo-2-oxo-2H-chromen-3-yl)ethylidene]thiosemicarbazide

A. Arshad, H. Osman, K. L. Chan, J. H. Goh and H.-K. Fun

Online 29 May 2010

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.021
• wR factor = 0.084
• Data-to-parameter ratio = 27.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.38      
PLAT352_ALERT_3_C Short   N-H Bond (0.87A)   N2     -   H1N2   ...       0.73 Ang. 
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br1    ..  O2      ..       3.07 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         36      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         22      

Alert level G
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ..           2      
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size ....       0.73 mm   
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        200 Deg. 
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          3      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   4 ALERT level G = General alerts; check

   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
   4 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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