(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o239-o240 [ doi:10.1107/S1600536804001230 ]

5-Chloro-2-benzofuran-1,3-dione

Z. S. Jin, W. X. Wang, W. X. Hu, Z. Y. Yang, H. W. Chen and R. C. Xuan

Online 23 January 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.036
wR factor = 0.104
Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT480_ALERT_4_B Long H...A H-Bond Reported H6     ..  O6       =       3.03 Ang.  

Alert level C
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl2    ..  O6       =       3.08 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  O3     ..  C16      =       2.97 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3     ..  O1       =       2.80 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H6     ..  O6       =       2.89 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H11    ..  O2       =       2.94 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13    ..  O1       =       2.63 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13    ..  O2       =       2.81 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H14    ..  O4       =       2.61 Ang.  

   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
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   7 ALERT type 4 Improvement, methodology, query or suggestion