(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2007). E63, o3000 [ doi:10.1107/S1600536807023690 ]

3-Amino-2-thioxothiazolidin-4-one

Q.-L. Zhou, Z.-H. Zhang and Z.-L. Jing

Online 26 May 2007

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.004 Å
R factor = 0.032
wR factor = 0.085
Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2A    ..  S1      ..       2.94 Ang. 
PLAT731_ALERT_1_C Bond    Calc     0.90(2), Rep    0.899(9) ......       2.22 su-Ra
              N2   -H2A     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc     0.91(2), Rep    0.909(9) ......       2.22 su-Ra
              N2   -H2B     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc   0.902(19), Rep    0.902(9) ......       2.11 su-Ra
              N4   -H4A     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.90(2), Rep    0.899(9) ......       2.22 su-Ra
              N2   -H2A     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.90(2), Rep    0.899(9) ......       2.22 su-Ra
              N2   -H2A     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.91(2), Rep    0.909(9) ......       2.22 su-Ra
              N2   -H2B     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc   0.902(19), Rep    0.902(9) ......       2.11 su-Ra
              N4   -H4A     1.555   1.555                                      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      

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

   7 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check