(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o102-o103 [ doi:10.1107/S1600536803026369 ]

Ethyl 3-{[(2-chlorophenyl)sulfonyl]imino}-2-{[(3,5-dimethoxyphenyl)amino]carbonyl}-3-(methylsulfanyl)propanoate

C. H. L. Kennard, H. G. McFadden and K. A. Byriel

Online 19 December 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.010 Å
R factor = 0.043
wR factor = 0.152
Data-to-parameter ratio = 14.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low ....         34 Perc. 
PLAT027_ALERT_3_B _diffrn_reflns_theta_full (too) Low ............      24.98 Deg.  
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.62 Ratio 

Alert level C
PLAT213_ALERT_2_C Atom C35A    has ADP max/min Ratio .............       3.10 prolat
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.66 Ratio 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C64     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C62     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       3.00 Perc. 
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10       

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

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