Acta Cryst. (2011). E67, o1256  [ doi:10.1107/S1600536811014991 ]

(±)-1,2-Bis(N'-benzoylthioureido)cyclohexane

J. Jumal, A. R. Ibrahim and B. M. Yamin

Online 29 April 2011

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.005 Å
• R factor = 0.062
• wR factor = 0.145
• Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.12 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C6     
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          5      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          3      

Alert level G
PLAT432_ALERT_2_G Short Inter X...Y Contact  S2     ..  C18     ..       3.24 Ang. 
PLAT793_ALERT_4_G The Model has Chirality at C9      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C14     (Verify) ....          S      

   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
   3 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
   2 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

Copyright © International Union of Crystallography
IUCr Webmaster