(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o655-o656 [ doi:10.1107/S1600536805004137 ]

3-(2-Bromo-4,5-dimethoxybenzyl)thiazolidine-2,4-dione

H. S. Yathirajan, S. L. Gaonkar, K. M. Lokanatha Rai and M. Bolte

Online 12 February 2005

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.004 Å
R factor = 0.032
wR factor = 0.078
Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT431_ALERT_2_B Short Inter HL..A Contact  Br12   ..  O1      ..       3.06 Ang.  

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        S1'     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C3'     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      24.00 Perc. 
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br12   ..  O1'     ..       3.07 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  O1     ..  C3      ..       2.98 Ang.  
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      15.00 Deg.  
              C1'  -N1   -C1      1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      23.40 Deg.  
              C3   -N1   -C3'     1.555   1.555   1.555                         

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   8 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
   7 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